N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C17H21N3OS — CID 126818688

IUPACN-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)[C@@H]1C[C@H]1CNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H21N3OS/c1-11(2)14-7-12(14)9-19-16(21)8-13-10-22-17(20-13)15-5-3-4-6-18-15/h3-6,10-12,14H,7-9H2,1-2H3,(H,19,21)/t12-,14-/m0/s1
InChIKeyWGBWNHOLDHMFNQ-JSGCOSHPSA-N
MW315.44 g/mol
LogP3.16
Rot. Bonds6

About N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 126818688) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID126818688
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)[C@@H]1C[C@H]1CNC(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C17H21N3OS/c1-11(2)14-7-12(14)9-19-16(21)8-13-10-22-17(20-13)15-5-3-4-6-18-15/h3-6,10-12,14H,7-9H2,1-2H3,(H,19,21)/t12-,14-/m0/s1
InChIKeyWGBWNHOLDHMFNQ-JSGCOSHPSA-N
XLogP3.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55612992
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
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N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122
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CID 119461328
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2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360
N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
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N-[(2-methoxyphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 126818688) is N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)[C@@H]1C[C@H]1CNC(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WGBWNHOLDHMFNQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11(2)14-7-12(14)9-19-16(21)8-13-10-22-17(20-13)15-5-3-4-6-18-15/h3-6,10-12,14H,7-9H2,1-2H3,(H,19,21)/t12-,14-/m0/s1.
What are the key properties of N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 315.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 126818688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).