3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide

C16H21N3OS — CID 80695377

IUPAC3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)c1csc(NC(=O)CCc2cccc(N)c2)n1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)13-10-21-15(18-13)19-14(20)8-7-11-5-4-6-12(17)9-11/h4-6,9-10H,7-8,17H2,1-3H3,(H,18,19,20)
InChIKeyATAXUFPTUBJJPN-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.59
Rot. Bonds4

About 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide

3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide (PubChem CID 80695377) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
PubChem CID80695377
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C)c1csc(NC(=O)CCc2cccc(N)c2)n1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)13-10-21-15(18-13)19-14(20)8-7-11-5-4-6-12(17)9-11/h4-6,9-10H,7-8,17H2,1-3H3,(H,18,19,20)
InChIKeyATAXUFPTUBJJPN-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 18077952
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide
CID 86897326
2-(2-aminophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 8553866
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 80700526
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24524767

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide (CID 80695377) is 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide is CC(C)(C)c1csc(NC(=O)CCc2cccc(N)c2)n1.
What is the InChIKey of 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ATAXUFPTUBJJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-16(2,3)13-10-21-15(18-13)19-14(20)8-7-11-5-4-6-12(17)9-11/h4-6,9-10H,7-8,17H2,1-3H3,(H,18,19,20).
What are the key properties of 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide?
3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 303.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 80695377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).