2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C17H21N3OS — CID 47076770

IUPAC2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)N(Cc2cccnc2)C2CC2)s1
InChIInChI=1S/C17H21N3OS/c1-17(2,3)16-19-10-14(22-16)15(21)20(13-6-7-13)11-12-5-4-8-18-9-12/h4-5,8-10,13H,6-7,11H2,1-3H3
InChIKeyNJNBKZBWPISVFG-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.64
Rot. Bonds4

About 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 47076770) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID47076770
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)N(Cc2cccnc2)C2CC2)s1
InChIInChI=1S/C17H21N3OS/c1-17(2,3)16-19-10-14(22-16)15(21)20(13-6-7-13)11-12-5-4-8-18-9-12/h4-5,8-10,13H,6-7,11H2,1-3H3
InChIKeyNJNBKZBWPISVFG-UHFFFAOYSA-N
XLogP3.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(pyridin-3-ylmethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 37028672
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
2,4-diamino-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 61139944
2-(aminomethyl)-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66375904
2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
CID 154840056
N-(4-tert-butylcyclohexyl)-N-[(6-chloro-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 87720740
2-chloro-N-cyclopropyl-5-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 91767645
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991055

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 47076770) is 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)N(Cc2cccnc2)C2CC2)s1.
What is the InChIKey of 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NJNBKZBWPISVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-17(2,3)16-19-10-14(22-16)15(21)20(13-6-7-13)11-12-5-4-8-18-9-12/h4-5,8-10,13H,6-7,11H2,1-3H3.
What are the key properties of 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47076770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).