N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H17FN2OS — CID 95616855

IUPACN-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@H](c2ccc(F)cc2)C2CC2)cs1
InChIInChI=1S/C16H17FN2OS/c1-10-18-14(9-21-10)8-15(20)19-16(11-2-3-11)12-4-6-13(17)7-5-12/h4-7,9,11,16H,2-3,8H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyKSKZNHMZXWMQFV-INIZCTEOSA-N
MW304.39 g/mol
LogP3.40
Rot. Bonds5

About N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 95616855) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID95616855
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@H](c2ccc(F)cc2)C2CC2)cs1
InChIInChI=1S/C16H17FN2OS/c1-10-18-14(9-21-10)8-15(20)19-16(11-2-3-11)12-4-6-13(17)7-5-12/h4-7,9,11,16H,2-3,8H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyKSKZNHMZXWMQFV-INIZCTEOSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91766472
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]acetamide
CID 94639876
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55478764
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
N-[2-fluoro-1-(4-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 166250206
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40819824
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 51073344
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51295992
N-(2-methyl-1-phenylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78813908
N-(2,3-dihydro-1H-inden-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70770672
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 95616855) is N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N[C@H](c2ccc(F)cc2)C2CC2)cs1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KSKZNHMZXWMQFV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10-18-14(9-21-10)8-15(20)19-16(11-2-3-11)12-4-6-13(17)7-5-12/h4-7,9,11,16H,2-3,8H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 95616855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).