3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide

C14H17N3OS — CID 61471793

IUPAC3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
SMILESCCc1nc(NC(=O)c2cccc(N)c2C)sc1C
InChIInChI=1S/C14H17N3OS/c1-4-12-9(3)19-14(16-12)17-13(18)10-6-5-7-11(15)8(10)2/h5-7H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyNKGUWXJIBCXNST-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.16
Rot. Bonds3

About 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide (PubChem CID 61471793) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
PubChem CID61471793
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide
SMILESCCc1nc(NC(=O)c2cccc(N)c2C)sc1C
InChIInChI=1S/C14H17N3OS/c1-4-12-9(3)19-14(16-12)17-13(18)10-6-5-7-11(15)8(10)2/h5-7H,4,15H2,1-3H3,(H,16,17,18)
InChIKeyNKGUWXJIBCXNST-UHFFFAOYSA-N
XLogP3.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.16
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-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
2,4-diamino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61472147
2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 115413037
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzenesulfonamide
CID 61472090
5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62244060
4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61477386
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
2-amino-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 115545249
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524874

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide (CID 61471793) is 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide is CCc1nc(NC(=O)c2cccc(N)c2C)sc1C.
What is the InChIKey of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide?
The InChIKey is NKGUWXJIBCXNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-12-9(3)19-14(16-12)17-13(18)10-6-5-7-11(15)8(10)2/h5-7H,4,15H2,1-3H3,(H,16,17,18).
What are the key properties of 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide?
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide has a molecular weight of 275.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylbenzamide is sourced from PubChem (CID 61471793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).