N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C16H23N3O2S — CID 41228159

IUPACN-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C16H23N3O2S/c1-10-4-2-3-5-13(10)18-14(20)8-12-9-22-16(17-12)19-15(21)11-6-7-11/h9-11,13H,2-8H2,1H3,(H,18,20)(H,17,19,21)/t10-,13+/m1/s1
InChIKeyHIEVGWYFJAZVSP-MFKMUULPSA-N
MW321.45 g/mol
LogP2.73
Rot. Bonds5

About N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 41228159) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID41228159
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C16H23N3O2S/c1-10-4-2-3-5-13(10)18-14(20)8-12-9-22-16(17-12)19-15(21)11-6-7-11/h9-11,13H,2-8H2,1H3,(H,18,20)(H,17,19,21)/t10-,13+/m1/s1
InChIKeyHIEVGWYFJAZVSP-MFKMUULPSA-N
XLogP2.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 41228159) is N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)Cc1csc(NC(=O)C2CC2)n1.
What is the InChIKey of N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is HIEVGWYFJAZVSP-MFKMUULPSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-4-2-3-5-13(10)18-14(20)8-12-9-22-16(17-12)19-15(21)11-6-7-11/h9-11,13H,2-8H2,1H3,(H,18,20)(H,17,19,21)/t10-,13+/m1/s1.
What are the key properties of N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 41228159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).