N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide

C14H17N3O2S — CID 82342528

IUPACN-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(C)C)c(N)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-8(2)11-12(15)20-14(16-11)17-13(18)9-4-6-10(19-3)7-5-9/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyOMQYFJPOJNAQIC-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.11
Rot. Bonds4

About N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide

N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide (PubChem CID 82342528) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide
PubChem CID82342528
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(C)C)c(N)s2)cc1
InChIInChI=1S/C14H17N3O2S/c1-8(2)11-12(15)20-14(16-11)17-13(18)9-4-6-10(19-3)7-5-9/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyOMQYFJPOJNAQIC-UHFFFAOYSA-N
XLogP3.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide 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-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342440
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
4-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzamide
CID 22517739
N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 82342545
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
4-methoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086863
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
CID 42647858
4-methoxy-N-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3732616
4-[(S)-amino(phenyl)methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 110876919
methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 23763670

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide (CID 82342528) is N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(C(C)C)c(N)s2)cc1.
What is the InChIKey of N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The InChIKey is OMQYFJPOJNAQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(2)11-12(15)20-14(16-11)17-13(18)9-4-6-10(19-3)7-5-9/h4-8H,15H2,1-3H3,(H,16,17,18).
What are the key properties of N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide?
N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide has a molecular weight of 291.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-propan-2-yl-1,3-thiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 82342528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).