3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride

C15H19ClN2OS — CID 15945294

IUPAC3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
SMILESCc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-10(2)8-15(18)17-13-6-4-12(5-7-13)14-9-19-11(3)16-14;/h4-7,9-10H,8H2,1-3H3,(H,17,18);1H
InChIKeyUWIYUJNUHHHEDO-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.52
Rot. Bonds4

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

3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride (PubChem CID 15945294) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
PubChem CID15945294
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
SMILESCc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1.Cl
InChIInChI=1S/C15H18N2OS.ClH/c1-10(2)8-15(18)17-13-6-4-12(5-7-13)14-9-19-11(3)16-14;/h4-7,9-10H,8H2,1-3H3,(H,17,18);1H
InChIKeyUWIYUJNUHHHEDO-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride (CID 15945294) is 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride is Cc1nc(-c2ccc(NC(=O)CC(C)C)cc2)cs1.Cl.
What is the InChIKey of 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
The InChIKey is UWIYUJNUHHHEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.ClH/c1-10(2)8-15(18)17-13-6-4-12(5-7-13)14-9-19-11(3)16-14;/h4-7,9-10H,8H2,1-3H3,(H,17,18);1H.
What are the key properties of 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride?
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 15945294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).