2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C17H19N3O2S2 — CID 55684953

IUPAC2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2nc3ccc(OC)cc3s2)s1
InChIInChI=1S/C17H19N3O2S2/c1-4-5-6-14-18-10(2)15(24-14)16(21)20-17-19-12-8-7-11(22-3)9-13(12)23-17/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyRKBYTWCGKURKSD-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.66
Rot. Bonds6

About 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55684953) has the molecular formula C17H19N3O2S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55684953
Molecular FormulaC17H19N3O2S2
Molecular Weight361.49 g/mol
Exact Mass361.09
IUPAC Name2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2nc3ccc(OC)cc3s2)s1
InChIInChI=1S/C17H19N3O2S2/c1-4-5-6-14-18-10(2)15(24-14)16(21)20-17-19-12-8-7-11(22-3)9-13(12)23-17/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyRKBYTWCGKURKSD-UHFFFAOYSA-N
XLogP4.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 24564369
2-[acetyl(2-methoxyethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 51044204
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124163
2-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)hexanamide
CID 4036340
5-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-4-carboxamide
CID 112759271
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 119421156

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 55684953) is 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1nc(C)c(C(=O)Nc2nc3ccc(OC)cc3s2)s1.
What is the InChIKey of 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RKBYTWCGKURKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2/c1-4-5-6-14-18-10(2)15(24-14)16(21)20-17-19-12-8-7-11(22-3)9-13(12)23-17/h7-9H,4-6H2,1-3H3,(H,19,20,21).
What are the key properties of 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55684953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).