4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide

C16H17N3OS2 — CID 51151121

IUPAC4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
SMILESCc1nc(NC(=O)CCCc2nc3ccccc3s2)sc1C
InChIInChI=1S/C16H17N3OS2/c1-10-11(2)21-16(17-10)19-14(20)8-5-9-15-18-12-6-3-4-7-13(12)22-15/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,19,20)
InChIKeyTUFZQXKQBXOFMJ-UHFFFAOYSA-N
MW331.47 g/mol
LogP4.33
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide

4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide (PubChem CID 51151121) has the molecular formula C16H17N3OS2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
PubChem CID51151121
Molecular FormulaC16H17N3OS2
Molecular Weight331.47 g/mol
Exact Mass331.08
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
SMILESCc1nc(NC(=O)CCCc2nc3ccccc3s2)sc1C
InChIInChI=1S/C16H17N3OS2/c1-10-11(2)21-16(17-10)19-14(20)8-5-9-15-18-12-6-3-4-7-13(12)22-15/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,19,20)
InChIKeyTUFZQXKQBXOFMJ-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
CID 26290774
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(1,3-benzothiazol-2-yl)butanamide
CID 51258091
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
4-(1,3-benzothiazol-2-yl)-N-pyridin-3-ylbutanamide
CID 51162107
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369
4-[4-(1,3-benzothiazol-2-yl)butanoylamino]-N,N-dimethylbenzamide
CID 34544923
3-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]propanoic acid
CID 119252157
4-(1,3-benzothiazol-2-yl)-N-benzylbutanamide
CID 2598266

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide (CID 51151121) is 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide is Cc1nc(NC(=O)CCCc2nc3ccccc3s2)sc1C.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is TUFZQXKQBXOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS2/c1-10-11(2)21-16(17-10)19-14(20)8-5-9-15-18-12-6-3-4-7-13(12)22-15/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,19,20).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide?
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 331.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 51151121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).