3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide

C15H17N3O2S — CID 87855514

IUPAC3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide
SMILESCc1ccccc1C(=O)c1cnc(NC(C)CC(N)=O)s1
InChIInChI=1S/C15H17N3O2S/c1-9-5-3-4-6-11(9)14(20)12-8-17-15(21-12)18-10(2)7-13(16)19/h3-6,8,10H,7H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyPJVSXQCMCIQTPQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.36
Rot. Bonds6

About 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide

3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide (PubChem CID 87855514) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide.

Molecular Properties

Compound Name3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide
PubChem CID87855514
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide
SMILESCc1ccccc1C(=O)c1cnc(NC(C)CC(N)=O)s1
InChIInChI=1S/C15H17N3O2S/c1-9-5-3-4-6-11(9)14(20)12-8-17-15(21-12)18-10(2)7-13(16)19/h3-6,8,10H,7H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyPJVSXQCMCIQTPQ-UHFFFAOYSA-N
XLogP2.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide?
The IUPAC name of 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide (CID 87855514) is 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide.
What is the SMILES notation for 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide?
The canonical SMILES for 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide is Cc1ccccc1C(=O)c1cnc(NC(C)CC(N)=O)s1.
What is the InChIKey of 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide?
The InChIKey is PJVSXQCMCIQTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-5-3-4-6-11(9)14(20)12-8-17-15(21-12)18-10(2)7-13(16)19/h3-6,8,10H,7H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide?
3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide has a molecular weight of 303.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butanamide is sourced from PubChem (CID 87855514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).