4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide

C14H17N3OS — CID 87581411

IUPAC4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-12(18)10-6-4-9(5-7-10)11-8-19-13(15)16-11/h4-8H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyNYCOUKIWNADMBY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.92
Rot. Bonds2

About 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide

4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide (PubChem CID 87581411) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
PubChem CID87581411
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C14H17N3OS/c1-14(2,3)17-12(18)10-6-4-9(5-7-10)11-8-19-13(15)16-11/h4-8H,1-3H3,(H2,15,16)(H,17,18)
InChIKeyNYCOUKIWNADMBY-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide 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

methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,4-dimethoxybenzamide
CID 23102404
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71457823
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
4-(2-amino-1,3-thiazol-4-yl)-N'-hydroxybenzenecarboximidamide
CID 16773762
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464260
N-tert-butyl-4-carbamothioylbenzamide
CID 24710015
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46539769
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 40547504
2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid
CID 86620276

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide (CID 87581411) is 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide?
The InChIKey is NYCOUKIWNADMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(2,3)17-12(18)10-6-4-9(5-7-10)11-8-19-13(15)16-11/h4-8H,1-3H3,(H2,15,16)(H,17,18).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide?
4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide has a molecular weight of 275.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide is sourced from PubChem (CID 87581411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).