4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole

C18H13N3S3 — CID 24618705

IUPAC4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
SMILESc1ccc(-c2csc(SCc3csc(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C18H13N3S3/c1-2-6-13(7-3-1)16-12-24-18(21-16)23-11-14-10-22-17(20-14)15-8-4-5-9-19-15/h1-10,12H,11H2
InChIKeyKJBDVVQGESVMLR-UHFFFAOYSA-N
MW367.52 g/mol
LogP5.62
Rot. Bonds5

About 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole

4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole (PubChem CID 24618705) has the molecular formula C18H13N3S3 and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
PubChem CID24618705
Molecular FormulaC18H13N3S3
Molecular Weight367.52 g/mol
Exact Mass367.03
IUPAC Name4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
SMILESc1ccc(-c2csc(SCc3csc(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C18H13N3S3/c1-2-6-13(7-3-1)16-12-24-18(21-16)23-11-14-10-22-17(20-14)15-8-4-5-9-19-15/h1-10,12H,11H2
InChIKeyKJBDVVQGESVMLR-UHFFFAOYSA-N
XLogP5.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 35502313
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
2-pyridin-2-yl-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 15542721
2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 30782857
2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79129470
6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
CID 108779877
5-phenyl-3-prop-2-enyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 24592130
4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 30787413
4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 30758253
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridin-3-amine
CID 43300567

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole?
The IUPAC name of 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole (CID 24618705) is 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole is c1ccc(-c2csc(SCc3csc(-c4ccccn4)n3)n2)cc1.
What is the InChIKey of 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole?
The InChIKey is KJBDVVQGESVMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S3/c1-2-6-13(7-3-1)16-12-24-18(21-16)23-11-14-10-22-17(20-14)15-8-4-5-9-19-15/h1-10,12H,11H2.
What are the key properties of 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole?
4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole has a molecular weight of 367.52 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 24618705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).