2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C18H18N4OS — CID 91629613

IUPAC2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cnn2c1CCCC2)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H18N4OS/c23-17(15-12-24-18(21-15)13-6-2-1-3-7-13)19-10-14-11-20-22-9-5-4-8-16(14)22/h1-3,6-7,11-12H,4-5,8-10H2,(H,19,23)
InChIKeyZVCKCJKDHOLYLE-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.27
Rot. Bonds4

About 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 91629613) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID91629613
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cnn2c1CCCC2)c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H18N4OS/c23-17(15-12-24-18(21-15)13-6-2-1-3-7-13)19-10-14-11-20-22-9-5-4-8-16(14)22/h1-3,6-7,11-12H,4-5,8-10H2,(H,19,23)
InChIKeyZVCKCJKDHOLYLE-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 91629613) is 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cnn2c1CCCC2)c1csc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZVCKCJKDHOLYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-17(15-12-24-18(21-15)13-6-2-1-3-7-13)19-10-14-11-20-22-9-5-4-8-16(14)22/h1-3,6-7,11-12H,4-5,8-10H2,(H,19,23).
What are the key properties of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91629613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).