3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide

C14H17N3OS2 — CID 119687624

IUPAC3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCSc1ccc(-c2csc(NC(=O)CC(C)N)n2)cc1
InChIInChI=1S/C14H17N3OS2/c1-9(15)7-13(18)17-14-16-12(8-20-14)10-3-5-11(19-2)6-4-10/h3-6,8-9H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyMGPJIUYCRPVEAU-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.21
Rot. Bonds5

About 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide

3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 119687624) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID119687624
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCSc1ccc(-c2csc(NC(=O)CC(C)N)n2)cc1
InChIInChI=1S/C14H17N3OS2/c1-9(15)7-13(18)17-14-16-12(8-20-14)10-3-5-11(19-2)6-4-10/h3-6,8-9H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyMGPJIUYCRPVEAU-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119270264
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
3-amino-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119708092
2-(4-methylsulfanylphenyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 41126327
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
3-cyclopentylsulfonyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 55757639
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 55340324
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide (CID 119687624) is 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide is CSc1ccc(-c2csc(NC(=O)CC(C)N)n2)cc1.
What is the InChIKey of 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is MGPJIUYCRPVEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9(15)7-13(18)17-14-16-12(8-20-14)10-3-5-11(19-2)6-4-10/h3-6,8-9H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide?
3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 307.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 119687624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).