4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide

C15H17N3O2S — CID 3463042

IUPAC4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H17N3O2S/c1-10(2)9-13(19)17-12-5-3-11(4-6-12)14(20)18-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyNRYURYQHEDZXCQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.38
Rot. Bonds5

About 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide

4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 3463042) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID3463042
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H17N3O2S/c1-10(2)9-13(19)17-12-5-3-11(4-6-12)14(20)18-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyNRYURYQHEDZXCQ-UHFFFAOYSA-N
XLogP3.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 3463042) is 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide is CC(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is NRYURYQHEDZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10(2)9-13(19)17-12-5-3-11(4-6-12)14(20)18-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,19)(H,16,18,20).
What are the key properties of 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide?
4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 303.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3463042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).