5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide

C23H30N6O2S2 — CID 157361996

IUPAC5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide
SMILESCC1(O)CCC(Nc2nc(Cc3cc(C(=O)NC4CCNCC4)ns3)nc3ccsc23)CC1
InChIInChI=1S/C23H30N6O2S2/c1-23(31)7-2-14(3-8-23)25-21-20-17(6-11-32-20)27-19(28-21)13-16-12-18(29-33-16)22(30)26-15-4-9-24-10-5-15/h6,11-12,14-15,24,31H,2-5,7-10,13H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyBITATYYCAMNQAG-UHFFFAOYSA-N
MW486.67 g/mol
LogP3.33
Rot. Bonds6

About 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide

5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide (PubChem CID 157361996) has the molecular formula C23H30N6O2S2 and a molecular weight of 486.67 g/mol. Its IUPAC name is 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide
PubChem CID157361996
Molecular FormulaC23H30N6O2S2
Molecular Weight486.67 g/mol
Exact Mass486.19
IUPAC Name5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide
SMILESCC1(O)CCC(Nc2nc(Cc3cc(C(=O)NC4CCNCC4)ns3)nc3ccsc23)CC1
InChIInChI=1S/C23H30N6O2S2/c1-23(31)7-2-14(3-8-23)25-21-20-17(6-11-32-20)27-19(28-21)13-16-12-18(29-33-16)22(30)26-15-4-9-24-10-5-15/h6,11-12,14-15,24,31H,2-5,7-10,13H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyBITATYYCAMNQAG-UHFFFAOYSA-N
XLogP3.33
TPSA112.06 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.67
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide with MolForge

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Related Compounds

5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]-1,2-thiazole-3-carboxamide
CID 158089385
[5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]thiophen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 158089389
1-[4-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]pyrazol-1-yl]-2-piperidin-4-ylethanone
CID 159427998
4-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
CID 158107691
tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate
CID 160703519
2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 122420545
2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(4-nitrosocyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 145256388
cis-(1R,3S)-3-[2-[(1-methylpyrazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclopentan-1-amine;cis-(1R,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(2-methoxy-4-pyridinyl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(3S)-1-methyl-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol;4-[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]oxycyclohexan-1-ol;trans-(1S,3S)-3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 159738004
2-[4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]ethanesulfonic acid
CID 175184302
6-(piperidin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 61403349
4-[[2-[[4-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 158611356
4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexane-1-carbaldehyde
CID 135128194

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide (CID 157361996) is 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide is CC1(O)CCC(Nc2nc(Cc3cc(C(=O)NC4CCNCC4)ns3)nc3ccsc23)CC1.
What is the InChIKey of 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide?
The InChIKey is BITATYYCAMNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S2/c1-23(31)7-2-14(3-8-23)25-21-20-17(6-11-32-20)27-19(28-21)13-16-12-18(29-33-16)22(30)26-15-4-9-24-10-5-15/h6,11-12,14-15,24,31H,2-5,7-10,13H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide?
5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide has a molecular weight of 486.67 g/mol, XLogP of 3.33, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-piperidin-4-yl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 157361996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).