N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide

C16H20N4OS — CID 97442348

IUPACN-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc3c(s2)CCCN3C(C)C)nc1
InChIInChI=1S/C16H20N4OS/c1-10(2)20-8-4-5-12-14(20)19-16(22-12)15(21)18-13-7-6-11(3)9-17-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,21)
InChIKeyCOHLWVRGULFDOD-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.26
Rot. Bonds3

About N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide

N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide (PubChem CID 97442348) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
PubChem CID97442348
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc3c(s2)CCCN3C(C)C)nc1
InChIInChI=1S/C16H20N4OS/c1-10(2)20-8-4-5-12-14(20)19-16(22-12)15(21)18-13-7-6-11(3)9-17-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,21)
InChIKeyCOHLWVRGULFDOD-UHFFFAOYSA-N
XLogP3.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide (CID 97442348) is N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2nc3c(s2)CCCN3C(C)C)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
The InChIKey is COHLWVRGULFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-10(2)20-8-4-5-12-14(20)19-16(22-12)15(21)18-13-7-6-11(3)9-17-13/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,21).
What are the key properties of N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide?
N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-propan-2-yl-6,7-dihydro-5H-[1,3]thiazolo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 97442348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).