1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile

C17H18N8S — CID 123349690

IUPAC1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile
SMILESCC1CCC(C#N)CN1c1nc2ccnc(Nc3cc(N)ncn3)c2s1
InChIInChI=1S/C17H18N8S/c1-10-2-3-11(7-18)8-25(10)17-23-12-4-5-20-16(15(12)26-17)24-14-6-13(19)21-9-22-14/h4-6,9-11H,2-3,8H2,1H3,(H3,19,20,21,22,24)
InChIKeyUMRMNPOPAYDXHT-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile

1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile (PubChem CID 123349690) has the molecular formula C17H18N8S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile
PubChem CID123349690
Molecular FormulaC17H18N8S
Molecular Weight366.45 g/mol
Exact Mass366.14
IUPAC Name1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile
SMILESCC1CCC(C#N)CN1c1nc2ccnc(Nc3cc(N)ncn3)c2s1
InChIInChI=1S/C17H18N8S/c1-10-2-3-11(7-18)8-25(10)17-23-12-4-5-20-16(15(12)26-17)24-14-6-13(19)21-9-22-14/h4-6,9-11H,2-3,8H2,1H3,(H3,19,20,21,22,24)
InChIKeyUMRMNPOPAYDXHT-UHFFFAOYSA-N
XLogP2.94
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(3S)-1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile
CID 118178190
4-N-[2-(3-fluoropiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 123889336
4-N-[2-(2-ethenylidenecyclohexyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 123795314
4-N-[2-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 118178371
1-[4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile
CID 118178514
4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 66807105
1-[4-[[6-amino-3-methyl-2-(trifluoromethyl)-2H-pyrimidin-4-yl]amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]piperidine-3-carbonitrile
CID 144865631
N-[2-(3-cyano-2-methylpiperidin-1-yl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
CID 123251520
4-[4-[(6-aminopyrimidin-4-yl)amino]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-2-yl]morpholine-2-carbonitrile
CID 123263940
3,5-dichloro-4-[4-[(6-chloropyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzonitrile
CID 86668995
N-[2-[(3S,5S)-3-cyano-5-methoxypiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
CID 118178665
4-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-7-fluoro-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine;4-N-[7-fluoro-2-[(3S)-3-methylpiperidin-1-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 160994213

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile?
The IUPAC name of 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile (CID 123349690) is 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile.
What is the SMILES notation for 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile?
The canonical SMILES for 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile is CC1CCC(C#N)CN1c1nc2ccnc(Nc3cc(N)ncn3)c2s1.
What is the InChIKey of 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile?
The InChIKey is UMRMNPOPAYDXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8S/c1-10-2-3-11(7-18)8-25(10)17-23-12-4-5-20-16(15(12)26-17)24-14-6-13(19)21-9-22-14/h4-6,9-11H,2-3,8H2,1H3,(H3,19,20,21,22,24).
What are the key properties of 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile?
1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile has a molecular weight of 366.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-aminopyrimidin-4-yl)amino]-[1,3]thiazolo[5,4-c]pyridin-2-yl]-6-methylpiperidine-3-carbonitrile is sourced from PubChem (CID 123349690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).