5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C19H25N7O2S2 — CID 110095377

IUPAC5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C19H25N7O2S2/c1-13-10-20-19(29-13)24-17-9-16(22-14(2)23-17)8-15-4-6-26(7-5-15)30(27,28)18-11-25(3)12-21-18/h9-12,15H,4-8H2,1-3H3,(H,20,22,23,24)
InChIKeyMSDKQOHWNJMSOU-UHFFFAOYSA-N
MW447.59 g/mol
LogP2.67
Rot. Bonds6

About 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine

5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 110095377) has the molecular formula C19H25N7O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID110095377
Molecular FormulaC19H25N7O2S2
Molecular Weight447.59 g/mol
Exact Mass447.15
IUPAC Name5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C19H25N7O2S2/c1-13-10-20-19(29-13)24-17-9-16(22-14(2)23-17)8-15-4-6-26(7-5-15)30(27,28)18-11-25(3)12-21-18/h9-12,15H,4-8H2,1-3H3,(H,20,22,23,24)
InChIKeyMSDKQOHWNJMSOU-UHFFFAOYSA-N
XLogP2.67
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842141
N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659503
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486
N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659781
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
5-methyl-N-[2-methyl-6-[(3S)-1-piperidin-1-ylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124977783
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798
1-ethyl-5-[[1-(1-methylimidazol-4-yl)sulfonylazepan-4-yl]methyl]pyrrolo[2,3-b]pyridine
CID 155985761
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820160
4-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 91908949
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 110095377) is 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(Nc2ncc(C)s2)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is MSDKQOHWNJMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2S2/c1-13-10-20-19(29-13)24-17-9-16(22-14(2)23-17)8-15-4-6-26(7-5-15)30(27,28)18-11-25(3)12-21-18/h9-12,15H,4-8H2,1-3H3,(H,20,22,23,24).
What are the key properties of 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 447.59 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110095377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).