(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide

C15H16N4O2S — CID 155272117

IUPAC(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
SMILESCOc1cccc(-c2ncc(NC(=O)[C@H](C)CNC#N)s2)c1
InChIInChI=1S/C15H16N4O2S/c1-10(7-17-9-16)14(20)19-13-8-18-15(22-13)11-4-3-5-12(6-11)21-2/h3-6,8,10,17H,7H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyYRGVWBHLHWKWSA-SNVBAGLBSA-N
MW316.39 g/mol
LogP2.46
Rot. Bonds6

About (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide

(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide (PubChem CID 155272117) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
PubChem CID155272117
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
SMILESCOc1cccc(-c2ncc(NC(=O)[C@H](C)CNC#N)s2)c1
InChIInChI=1S/C15H16N4O2S/c1-10(7-17-9-16)14(20)19-13-8-18-15(22-13)11-4-3-5-12(6-11)21-2/h3-6,8,10,17H,7H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyYRGVWBHLHWKWSA-SNVBAGLBSA-N
XLogP2.46
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide 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

tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868
tert-butyl N-[(3R)-4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-3-methyl-4-oxobutyl]carbamate
CID 155271932
4-amino-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]butanamide;hydrochloride
CID 155271945
(2S)-N-[(2S)-1-[[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-2-methylbutanamide
CID 7412372
(2R)-2-amino-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7414353
N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552
N-[2-(3,4-dichlorophenyl)-1,3-thiazol-5-yl]-2-methylpropanamide
CID 177178914
(2S,3R)-2-amino-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide
CID 812182
(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 124847125
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
(2R)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenylacetyl)amino]propanamide
CID 7288486
5-(3-methoxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 46785031

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide?
The IUPAC name of (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide (CID 155272117) is (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide?
The canonical SMILES for (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide is COc1cccc(-c2ncc(NC(=O)[C@H](C)CNC#N)s2)c1.
What is the InChIKey of (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide?
The InChIKey is YRGVWBHLHWKWSA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10(7-17-9-16)14(20)19-13-8-18-15(22-13)11-4-3-5-12(6-11)21-2/h3-6,8,10,17H,7H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide?
(2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide has a molecular weight of 316.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(cyanoamino)-N-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 155272117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).