3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide

C14H14N2OS — CID 134108990

IUPAC3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2OS/c1-9-12(8-18-16-9)14(17)15-13-7-11(13)10-5-3-2-4-6-10/h2-6,8,11,13H,7H2,1H3,(H,15,17)/t11-,13+/m1/s1
InChIKeyAEVQJGOZDFAYNT-YPMHNXCESA-N
MW258.35 g/mol
LogP2.74
Rot. Bonds3

About 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide

3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide (PubChem CID 134108990) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide
PubChem CID134108990
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H14N2OS/c1-9-12(8-18-16-9)14(17)15-13-7-11(13)10-5-3-2-4-6-10/h2-6,8,11,13H,7H2,1H3,(H,15,17)/t11-,13+/m1/s1
InChIKeyAEVQJGOZDFAYNT-YPMHNXCESA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 10106577
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
6-methyl-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 73011269
2-fluoro-5-methyl-N-(2-phenylcyclopropyl)benzamide
CID 62513017
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
4-methyl-N-[(1R,2R)-2-phenylcyclopropyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 94823559
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
5-amino-1-methyl-N-(2-phenylcyclopropyl)pyrazole-4-carboxamide
CID 115330669
3,4,5,6-tetrachloro-N-[(1S,2S)-2-phenylcyclopropyl]pyridine-2-carboxamide
CID 97015086
5-amino-N-(2-phenylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615763
3-amino-5-methyl-N-(2-phenylcyclopropyl)pyrazine-2-carboxamide
CID 10038673

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide (CID 134108990) is 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide?
The InChIKey is AEVQJGOZDFAYNT-YPMHNXCESA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-12(8-18-16-9)14(17)15-13-7-11(13)10-5-3-2-4-6-10/h2-6,8,11,13H,7H2,1H3,(H,15,17)/t11-,13+/m1/s1.
What are the key properties of 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide?
3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S,2R)-2-phenylcyclopropyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134108990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).