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

C15H13ClN2S2 — CID 52580545

IUPAC4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
SMILESCc1nc(Cc2nc(-c3ccc(Cl)cc3)c(C)s2)cs1
InChIInChI=1S/C15H13ClN2S2/c1-9-15(11-3-5-12(16)6-4-11)18-14(20-9)7-13-8-19-10(2)17-13/h3-6,8H,7H2,1-2H3
InChIKeyWDYCMQLJVFONNI-UHFFFAOYSA-N
MW320.87 g/mol
LogP5.13
Rot. Bonds3

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

4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole (PubChem CID 52580545) has the molecular formula C15H13ClN2S2 and a molecular weight of 320.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
PubChem CID52580545
Molecular FormulaC15H13ClN2S2
Molecular Weight320.87 g/mol
Exact Mass320.02
IUPAC Name4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
SMILESCc1nc(Cc2nc(-c3ccc(Cl)cc3)c(C)s2)cs1
InChIInChI=1S/C15H13ClN2S2/c1-9-15(11-3-5-12(16)6-4-11)18-14(20-9)7-13-8-19-10(2)17-13/h3-6,8H,7H2,1-2H3
InChIKeyWDYCMQLJVFONNI-UHFFFAOYSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.87
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82102720
4-[2-(hydroxymethyl)-5-methyl-1,3-thiazol-4-yl]phenol
CID 105477646
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975834
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66292710
1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methyl-3-prop-2-ynylguanidine
CID 119148936
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine
CID 75416961
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-1,3-benzoxazol-2-amine
CID 71887188
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole (CID 52580545) is 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole is Cc1nc(Cc2nc(-c3ccc(Cl)cc3)c(C)s2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is WDYCMQLJVFONNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S2/c1-9-15(11-3-5-12(16)6-4-11)18-14(20-9)7-13-8-19-10(2)17-13/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole?
4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 320.87 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 52580545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).