2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C14H17N3O2S — CID 80504154

IUPAC2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(C)C)cs2)c(N)c1
InChIInChI=1S/C14H17N3O2S/c1-8(2)12-7-20-14(16-12)17-13(18)10-5-4-9(19-3)6-11(10)15/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyOCKAZEAOHMAXOC-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 80504154) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID80504154
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(C(C)C)cs2)c(N)c1
InChIInChI=1S/C14H17N3O2S/c1-8(2)12-7-20-14(16-12)17-13(18)10-5-4-9(19-3)6-11(10)15/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyOCKAZEAOHMAXOC-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

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-hydroxy-4-methoxybenzamide
CID 64555479
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
2-amino-5-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479537
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62814924
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
2-amino-4-methoxy-N-(2-propan-2-ylphenyl)benzamide
CID 80503097
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]propanoic acid
CID 96696434
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 60728209

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 80504154) is 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nc(C(C)C)cs2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OCKAZEAOHMAXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(2)12-7-20-14(16-12)17-13(18)10-5-4-9(19-3)6-11(10)15/h4-8H,15H2,1-3H3,(H,16,17,18).
What are the key properties of 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide 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 2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 80504154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).