N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C15H15N3OS2 — CID 9124279

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1
InChIInChI=1S/C15H15N3OS2/c1-4-10-5-6-11-12(7-10)21-15(17-11)18-14(19)13-8(2)16-9(3)20-13/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeySAWLVJIFLBDQQO-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.18
Rot. Bonds3

About N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 9124279) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID9124279
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1
InChIInChI=1S/C15H15N3OS2/c1-4-10-5-6-11-12(7-10)21-15(17-11)18-14(19)13-8(2)16-9(3)20-13/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeySAWLVJIFLBDQQO-UHFFFAOYSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155389
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylthiophene-2-carboxamide
CID 8892653
Iwp-2
CID 2155128
2-(trifluoromethyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 156497916
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
N-(6-Cyano-3h-1,3-Benzothiazol-2-Ylidene)ethanamide
CID 121225571
2-Amino-1,3-benzothiazole-6-carboxamide
CID 606347

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 9124279) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCc1ccc2nc(NC(=O)c3sc(C)nc3C)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is SAWLVJIFLBDQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-4-10-5-6-11-12(7-10)21-15(17-11)18-14(19)13-8(2)16-9(3)20-13/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9124279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).