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

C14H12N2S2 — CID 167753539

IUPAC5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole
SMILESCc1ccc(Cc2cnc(-c3cncs3)s2)cc1
InChIInChI=1S/C14H12N2S2/c1-10-2-4-11(5-3-10)6-12-7-16-14(18-12)13-8-15-9-17-13/h2-5,7-9H,6H2,1H3
InChIKeyPIPCRVPTYJWROC-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.17
Rot. Bonds3

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

5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole (PubChem CID 167753539) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole
PubChem CID167753539
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole
SMILESCc1ccc(Cc2cnc(-c3cncs3)s2)cc1
InChIInChI=1S/C14H12N2S2/c1-10-2-4-11(5-3-10)6-12-7-16-14(18-12)13-8-15-9-17-13/h2-5,7-9H,6H2,1H3
InChIKeyPIPCRVPTYJWROC-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644019
5-(4-ethylphenyl)-1,3-thiazole
CID 20721145
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091903
4-(5-benzyl-1,3-thiazol-2-yl)aniline
CID 135222578
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
ethane;2-(1,3-thiazol-5-yl)-1,3-thiazole
CID 144537709
5-[(4-methylphenyl)methyl]-1,2-thiazol-3-amine
CID 112715707
5-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-1,3-benzothiazol-4-ol
CID 136630108
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 91341403
2-chloro-5-[(4-methylphenyl)methyl]thiophene
CID 142995810
2-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18827616

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole?
The IUPAC name of 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole (CID 167753539) is 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole is Cc1ccc(Cc2cnc(-c3cncs3)s2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole?
The InChIKey is PIPCRVPTYJWROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-10-2-4-11(5-3-10)6-12-7-16-14(18-12)13-8-15-9-17-13/h2-5,7-9H,6H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole?
5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole has a molecular weight of 272.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-2-(1,3-thiazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 167753539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).