2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide

C15H18N2OS — CID 42907148

IUPAC2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H18N2OS/c1-3-4-11(2)14(18)17-13-7-5-12(6-8-13)15-16-9-10-19-15/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyMAPQTNTXANJZJP-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.18
Rot. Bonds5

About 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide

2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide (PubChem CID 42907148) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
PubChem CID42907148
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H18N2OS/c1-3-4-11(2)14(18)17-13-7-5-12(6-8-13)15-16-9-10-19-15/h5-11H,3-4H2,1-2H3,(H,17,18)
InChIKeyMAPQTNTXANJZJP-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide (CID 42907148) is 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The canonical SMILES for 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide is CCCC(C)C(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The InChIKey is MAPQTNTXANJZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-4-11(2)14(18)17-13-7-5-12(6-8-13)15-16-9-10-19-15/h5-11H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide has a molecular weight of 274.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide is sourced from PubChem (CID 42907148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).