5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole

C17H17ClN2S2 — CID 158176861

IUPAC5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2csc(CCCc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C17H17ClN2S2/c1-11-17(22-12(2)19-11)15-10-21-16(20-15)5-3-4-13-6-8-14(18)9-7-13/h6-10H,3-5H2,1-2H3
InChIKeyFYCKJKZVWIPKKC-UHFFFAOYSA-N
MW348.92 g/mol
LogP5.71
Rot. Bonds5

About 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole

5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole (PubChem CID 158176861) has the molecular formula C17H17ClN2S2 and a molecular weight of 348.92 g/mol. Its IUPAC name is 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
PubChem CID158176861
Molecular FormulaC17H17ClN2S2
Molecular Weight348.92 g/mol
Exact Mass348.05
IUPAC Name5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2csc(CCCc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C17H17ClN2S2/c1-11-17(22-12(2)19-11)15-10-21-16(20-15)5-3-4-13-6-8-14(18)9-7-13/h6-10H,3-5H2,1-2H3
InChIKeyFYCKJKZVWIPKKC-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.92
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 149358576
5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 140665742
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
N-(5-chloro-2-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 973178
2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole
CID 148631708
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 2958770
N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide
CID 147378197
1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylsulfonylphenyl)propan-2-one
CID 159152454
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-3-phenylpropan-1-one
CID 147398133
1-(3-bromophenyl)-3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-one
CID 158753198
1-cyclopentyl-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 158982331
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole (CID 158176861) is 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2csc(CCCc3ccc(Cl)cc3)n2)s1.
What is the InChIKey of 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is FYCKJKZVWIPKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2S2/c1-11-17(22-12(2)19-11)15-10-21-16(20-15)5-3-4-13-6-8-14(18)9-7-13/h6-10H,3-5H2,1-2H3.
What are the key properties of 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole?
5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 348.92 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 158176861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).