4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine

C13H15ClN2OS2 — CID 97350871

IUPAC4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine
SMILESC[C@H](CNc1nc(-c2ccccc2Cl)cs1)[S@@](C)=O
InChIInChI=1S/C13H15ClN2OS2/c1-9(19(2)17)7-15-13-16-12(8-18-13)10-5-3-4-6-11(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,16)/t9-,19-/m1/s1
InChIKeyGBALDOHNQQEWMS-AYLIAGHASA-N
MW314.86 g/mol
LogP3.64
Rot. Bonds5

About 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine

4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine (PubChem CID 97350871) has the molecular formula C13H15ClN2OS2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine
PubChem CID97350871
Molecular FormulaC13H15ClN2OS2
Molecular Weight314.86 g/mol
Exact Mass314.03
IUPAC Name4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine
SMILESC[C@H](CNc1nc(-c2ccccc2Cl)cs1)[S@@](C)=O
InChIInChI=1S/C13H15ClN2OS2/c1-9(19(2)17)7-15-13-16-12(8-18-13)10-5-3-4-6-11(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,16)/t9-,19-/m1/s1
InChIKeyGBALDOHNQQEWMS-AYLIAGHASA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119264489
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232782
1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 133451634
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
4-chloro-N-[1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 112760826
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19195203
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine (CID 97350871) is 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine is C[C@H](CNc1nc(-c2ccccc2Cl)cs1)[S@@](C)=O.
What is the InChIKey of 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine?
The InChIKey is GBALDOHNQQEWMS-AYLIAGHASA-N. The full InChI is InChI=1S/C13H15ClN2OS2/c1-9(19(2)17)7-15-13-16-12(8-18-13)10-5-3-4-6-11(10)14/h3-6,8-9H,7H2,1-2H3,(H,15,16)/t9-,19-/m1/s1.
What are the key properties of 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine?
4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine has a molecular weight of 314.86 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[(2R)-2-[(R)-methylsulfinyl]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 97350871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).