1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one

C17H15ClN2OS2 — CID 148573988

IUPAC1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(C)c(-c2csc(Cc3ccccc3Cl)n2)s1
InChIInChI=1S/C17H15ClN2OS2/c1-10(21)7-16-19-11(2)17(23-16)14-9-22-15(20-14)8-12-5-3-4-6-13(12)18/h3-6,9H,7-8H2,1-2H3
InChIKeyMXKRKPAWEZUCSM-UHFFFAOYSA-N
MW362.91 g/mol
LogP4.95
Rot. Bonds5

About 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one

1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one (PubChem CID 148573988) has the molecular formula C17H15ClN2OS2 and a molecular weight of 362.91 g/mol. Its IUPAC name is 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one
PubChem CID148573988
Molecular FormulaC17H15ClN2OS2
Molecular Weight362.91 g/mol
Exact Mass362.03
IUPAC Name1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1nc(C)c(-c2csc(Cc3ccccc3Cl)n2)s1
InChIInChI=1S/C17H15ClN2OS2/c1-10(21)7-16-19-11(2)17(23-16)14-9-22-15(20-14)8-12-5-3-4-6-13(12)18/h3-6,9H,7-8H2,1-2H3
InChIKeyMXKRKPAWEZUCSM-UHFFFAOYSA-N
XLogP4.95
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one
CID 71172388
1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one
CID 158164479
ethyl 3-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485381
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
ethyl 5-acetyl-2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 107376342
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-(2-isocyanophenyl)propan-2-one
CID 158982318
1-(3-bromophenyl)-3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-one
CID 158753198
2-benzyl-N-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084159
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-ethoxybenzamide
CID 157087851
1-(4-chloro-1,3-thiazol-2-yl)propan-2-one
CID 147334896

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one (CID 148573988) is 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1nc(C)c(-c2csc(Cc3ccccc3Cl)n2)s1.
What is the InChIKey of 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is MXKRKPAWEZUCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS2/c1-10(21)7-16-19-11(2)17(23-16)14-9-22-15(20-14)8-12-5-3-4-6-13(12)18/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one?
1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 362.91 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 148573988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).