4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole

C17H14N4S2 — CID 54671013

IUPAC4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(-c2ccsc2)nn1
InChIInChI=1S/C17H14N4S2/c1-12-17(23-11-18-12)16(13-5-3-2-4-6-13)21-9-15(19-20-21)14-7-8-22-10-14/h2-11,16H,1H3
InChIKeyUYQMNJPXCUTJKB-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.41
Rot. Bonds4

About 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole

4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole (PubChem CID 54671013) has the molecular formula C17H14N4S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole
PubChem CID54671013
Molecular FormulaC17H14N4S2
Molecular Weight338.46 g/mol
Exact Mass338.07
IUPAC Name4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1C(c1ccccc1)n1cc(-c2ccsc2)nn1
InChIInChI=1S/C17H14N4S2/c1-12-17(23-11-18-12)16(13-5-3-2-4-6-13)21-9-15(19-20-21)14-7-8-22-10-14/h2-11,16H,1H3
InChIKeyUYQMNJPXCUTJKB-UHFFFAOYSA-N
XLogP4.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methylsulfanyl-4-[4-(1-phenyl-5-propyl-1H-pyrazol-4-yl)-thiazol-2-yl]-thiophene-2-carboxamidine
CID 18672225
alpha7 Agonists 15q
CID 57340857
alpha7 Agonists 15t
CID 57340880
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
5-Methylsulfanyl-4-[4-(1-phenyl-1H-pyrazol-4-yl)-thiazol-2-yl]-thiophene-2-carboxamidine
CID 44333829
2-methyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)benzo[d]thiazole
CID 45484850
2-(4-Fluorophenyl)-5-[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-4-methyl-1,3-thiazole
CID 155511654
4-Methyl-2-(4-methylphenyl)-5-[4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-1-phenylpyrazol-3-yl]-1,3-thiazole
CID 155523034
5-[4-(1-Benzyltriazol-4-yl)-1-phenylpyrazol-3-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 155532006
2-(2-Propyl(4-pyridyl))-4-(2-thienyl)-1,3-thiazole
CID 19591131
4-Methyl-5-[phenyl(triazol-1-yl)methyl]-1,3-thiazole
CID 54670828
4-Methyl-5-[phenyl-(4-phenyltriazol-1-yl)methyl]-1,3-thiazole
CID 54670829

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole (CID 54671013) is 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole is Cc1ncsc1C(c1ccccc1)n1cc(-c2ccsc2)nn1.
What is the InChIKey of 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is UYQMNJPXCUTJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S2/c1-12-17(23-11-18-12)16(13-5-3-2-4-6-13)21-9-15(19-20-21)14-7-8-22-10-14/h2-11,16H,1H3.
What are the key properties of 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole?
4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 338.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[phenyl-(4-thiophen-3-yltriazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 54671013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).