2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide

C17H19N3OS — CID 126837101

IUPAC2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(NCc1nc(-c2ccccn2)cs1)C(C1CC1)C1CC1
InChIInChI=1S/C17H19N3OS/c21-17(16(11-4-5-11)12-6-7-12)19-9-15-20-14(10-22-15)13-3-1-2-8-18-13/h1-3,8,10-12,16H,4-7,9H2,(H,19,21)
InChIKeyWXJCMWNAHMFFHT-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.26
Rot. Bonds6

About 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide

2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 126837101) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID126837101
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(NCc1nc(-c2ccccn2)cs1)C(C1CC1)C1CC1
InChIInChI=1S/C17H19N3OS/c21-17(16(11-4-5-11)12-6-7-12)19-9-15-20-14(10-22-15)13-3-1-2-8-18-13/h1-3,8,10-12,16H,4-7,9H2,(H,19,21)
InChIKeyWXJCMWNAHMFFHT-UHFFFAOYSA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 110317941
2-(oxolan-2-ylmethoxy)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 126837098
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110317876
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317951
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424
N-[3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propyl]cyclopent-3-ene-1-carboxamide
CID 126829364
1-tert-butyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 126837100
2-(piperidin-4-ylmethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116828962
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
2-(3,4-dimethoxyphenyl)-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110317920

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide (CID 126837101) is 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide is O=C(NCc1nc(-c2ccccn2)cs1)C(C1CC1)C1CC1.
What is the InChIKey of 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is WXJCMWNAHMFFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-17(16(11-4-5-11)12-6-7-12)19-9-15-20-14(10-22-15)13-3-1-2-8-18-13/h1-3,8,10-12,16H,4-7,9H2,(H,19,21).
What are the key properties of 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 313.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 126837101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).