2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole

C14H13N3S2 — CID 149358576

IUPAC2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2csc(Cc3cccnc3)n2)s1
InChIInChI=1S/C14H13N3S2/c1-9-14(19-10(2)16-9)12-8-18-13(17-12)6-11-4-3-5-15-7-11/h3-5,7-8H,6H2,1-2H3
InChIKeyYHLNWHUOROWQNT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.87
Rot. Bonds3

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

2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole (PubChem CID 149358576) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
PubChem CID149358576
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2csc(Cc3cccnc3)n2)s1
InChIInChI=1S/C14H13N3S2/c1-9-14(19-10(2)16-9)12-8-18-13(17-12)6-11-4-3-5-15-7-11/h3-5,7-8H,6H2,1-2H3
InChIKeyYHLNWHUOROWQNT-UHFFFAOYSA-N
XLogP3.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(pyridin-3-ylmethyl)-1,3,4-thiadiazole
CID 21365770
5-[2-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 140665742
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
5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 158176861
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62551037
1-(3-bromophenyl)-3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-one
CID 158753198
2-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 62929665
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
cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone
CID 158200181
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
4-[2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-2-oxoethyl]benzonitrile
CID 159819083

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole (CID 149358576) is 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole is Cc1nc(C)c(-c2csc(Cc3cccnc3)n2)s1.
What is the InChIKey of 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The InChIKey is YHLNWHUOROWQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-9-14(19-10(2)16-9)12-8-18-13(17-12)6-11-4-3-5-15-7-11/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole?
2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole has a molecular weight of 287.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 149358576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).