2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

C17H20N6OS — CID 172902834

IUPAC2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3nc4cnccc4s3)CC2)n(C)n1
InChIInChI=1S/C17H20N6OS/c1-11-9-14(22(2)21-11)16(24)19-12-4-7-23(8-5-12)17-20-13-10-18-6-3-15(13)25-17/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,19,24)
InChIKeyAOAKUDOUCDZIOO-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.13
Rot. Bonds3

About 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172902834) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172902834
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3nc4cnccc4s3)CC2)n(C)n1
InChIInChI=1S/C17H20N6OS/c1-11-9-14(22(2)21-11)16(24)19-12-4-7-23(8-5-12)17-20-13-10-18-6-3-15(13)25-17/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,19,24)
InChIKeyAOAKUDOUCDZIOO-UHFFFAOYSA-N
XLogP2.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172903919
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175651033
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 175650547
2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172901974
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172899553
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 171997770
cyclopropyl-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435144

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (CID 172902834) is 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3nc4cnccc4s3)CC2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is AOAKUDOUCDZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11-9-14(22(2)21-11)16(24)19-12-4-7-23(8-5-12)17-20-13-10-18-6-3-15(13)25-17/h3,6,9-10,12H,4-5,7-8H2,1-2H3,(H,19,24).
What are the key properties of 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172902834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).