(5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one

C9H7ClN2OS — CID 40510286

IUPAC(5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H](c2ccccc2Cl)S1
InChIInChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13)/t7-/m1/s1
InChIKeyTWJSQVWAFZYKCQ-SSDOTTSWSA-N
MW226.69 g/mol
LogP1.97
Rot. Bonds1

About (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one

(5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one (PubChem CID 40510286) has the molecular formula C9H7ClN2OS and a molecular weight of 226.69 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one
PubChem CID40510286
Molecular FormulaC9H7ClN2OS
Molecular Weight226.69 g/mol
Exact Mass226.00
IUPAC Name(5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H](c2ccccc2Cl)S1
InChIInChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13)/t7-/m1/s1
InChIKeyTWJSQVWAFZYKCQ-SSDOTTSWSA-N
XLogP1.97
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 7158134
2-amino-5-(2,5-dimethoxyphenyl)-1,3-thiazol-4-one
CID 71372820
(6S)-6-(2-chlorophenyl)-4-(4-methylphenyl)-6H-1,3-thiazin-2-amine
CID 7912962
2-amino-5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-4-one
CID 2872891
(5S)-3-amino-5-(2-chlorophenyl)cyclohex-2-en-1-one
CID 11287482
(5S)-2-amino-5-[(3S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one
CID 51575279
4-(2-chlorophenyl)cyclohexan-1-one
CID 19705258
2-amino-5-bromo-1,3-thiazol-4-one
CID 135339924
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
(4R)-4-(2-chlorophenyl)-3-methyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-7-one
CID 136917250
5-amino-4-(2-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazol-2-one
CID 79967632
2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
CID 22417598

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one (CID 40510286) is (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one is NC1=NC(=O)[C@@H](c2ccccc2Cl)S1.
What is the InChIKey of (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one?
The InChIKey is TWJSQVWAFZYKCQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H7ClN2OS/c10-6-4-2-1-3-5(6)7-8(13)12-9(11)14-7/h1-4,7H,(H2,11,12,13)/t7-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one?
(5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one has a molecular weight of 226.69 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-chlorophenyl)-1,3-thiazol-4-one is sourced from PubChem (CID 40510286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).