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

C19H25N7O2S2 — CID 95842141

IUPAC5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(C[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C19H25N7O2S2/c1-13-9-20-19(29-13)24-17-8-16(22-14(2)23-17)7-15-5-4-6-26(10-15)30(27,28)18-11-25(3)12-21-18/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,20,22,23,24)/t15-/m1/s1
InChIKeyRMMLSNCOCIGETP-OAHLLOKOSA-N
MW447.59 g/mol
LogP2.67
Rot. Bonds6

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

5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 95842141) has the molecular formula C19H25N7O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID95842141
Molecular FormulaC19H25N7O2S2
Molecular Weight447.59 g/mol
Exact Mass447.15
IUPAC Name5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(C[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc(Nc2ncc(C)s2)n1
InChIInChI=1S/C19H25N7O2S2/c1-13-9-20-19(29-13)24-17-8-16(22-14(2)23-17)7-15-5-4-6-26(10-15)30(27,28)18-11-25(3)12-21-18/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,20,22,23,24)/t15-/m1/s1
InChIKeyRMMLSNCOCIGETP-OAHLLOKOSA-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-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110095377
N-[6-[(1-benzylpiperidin-3-yl)methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659781
[3-[[2-methyl-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110269486
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
N-[6-[[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 175659503
1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
CID 91911692
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
5-methyl-N-[2-methyl-6-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820160
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-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-piperidin-1-ylsulfonylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 124995206
2-chloro-1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 175655158

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 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) is 5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(C[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc(Nc2ncc(C)s2)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is RMMLSNCOCIGETP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N7O2S2/c1-13-9-20-19(29-13)24-17-8-16(22-14(2)23-17)7-15-5-4-6-26(10-15)30(27,28)18-11-25(3)12-21-18/h8-9,11-12,15H,4-7,10H2,1-3H3,(H,20,22,23,24)/t15-/m1/s1.
What are the key properties of 5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-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-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95842141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).