N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C14H15ClN2OS — CID 1242878

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-9(2)13(18)17-14-16-8-12(19-14)7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyCKHJLSHEMPEUMJ-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.98
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 1242878) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID1242878
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H15ClN2OS/c1-9(2)13(18)17-14-16-8-12(19-14)7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyCKHJLSHEMPEUMJ-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 1242878) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is CKHJLSHEMPEUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(2)13(18)17-14-16-8-12(19-14)7-10-4-3-5-11(15)6-10/h3-6,8-9H,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 294.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 1242878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).