N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide

C16H18N2OS — CID 39001874

IUPACN-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCC(C)c1sc(NC(=O)C2CC2)nc1-c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-10(2)14-13(11-6-4-3-5-7-11)17-16(20-14)18-15(19)12-8-9-12/h3-7,10,12H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyDUBFEIIORGLRMQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.28
Rot. Bonds4

About N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide

N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 39001874) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID39001874
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCC(C)c1sc(NC(=O)C2CC2)nc1-c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-10(2)14-13(11-6-4-3-5-7-11)17-16(20-14)18-15(19)12-8-9-12/h3-7,10,12H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyDUBFEIIORGLRMQ-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120620807
1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 99791504
N-[3-[2-oxo-2-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55688843
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 111333750
2-(cyclobutanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226544
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
N-(5-cyano-4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 87301470
4-acetamido-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
CID 144822336
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
4-(methoxymethyl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 120620812
5-bromo-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 55688943
4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120588197

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 39001874) is N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide is CC(C)c1sc(NC(=O)C2CC2)nc1-c1ccccc1.
What is the InChIKey of N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is DUBFEIIORGLRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10(2)14-13(11-6-4-3-5-7-11)17-16(20-14)18-15(19)12-8-9-12/h3-7,10,12H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 286.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 39001874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).