N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

C14H17N3OS — CID 28861460

IUPACN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C14H17N3OS/c1-9(2)6-13(18)17-14-16-12(8-19-14)10-4-3-5-11(15)7-10/h3-5,7-9H,6,15H2,1-2H3,(H,16,17,18)
InChIKeyVPTGRMFCRRMIIS-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.38
Rot. Bonds4

About N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide (PubChem CID 28861460) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
PubChem CID28861460
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C14H17N3OS/c1-9(2)6-13(18)17-14-16-12(8-19-14)10-4-3-5-11(15)7-10/h3-5,7-9H,6,15H2,1-2H3,(H,16,17,18)
InChIKeyVPTGRMFCRRMIIS-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide 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-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 28861500
[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246
8-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoic acid
CID 53323224
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 28861553
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
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl] N-tert-butylcarbamate;methanol
CID 176652783
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 62056845
3-methyl-N-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3-thiazol-2-yl]butanamide
CID 108754604
2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 18894483
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide (CID 28861460) is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1nc(-c2cccc(N)c2)cs1.
What is the InChIKey of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The InChIKey is VPTGRMFCRRMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(2)6-13(18)17-14-16-12(8-19-14)10-4-3-5-11(15)7-10/h3-5,7-9H,6,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide has a molecular weight of 275.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide is sourced from PubChem (CID 28861460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).