5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole

C16H20N4OS — CID 72885214

IUPAC5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCc1nc(-c2ccco2)nn1C(C)(C)C
InChIInChI=1S/C16H20N4OS/c1-11-13(22-10-17-11)7-8-14-18-15(12-6-5-9-21-12)19-20(14)16(2,3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyYGPAMJBNOUKNKT-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.84
Rot. Bonds4

About 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole

5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole (PubChem CID 72885214) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole
PubChem CID72885214
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCc1nc(-c2ccco2)nn1C(C)(C)C
InChIInChI=1S/C16H20N4OS/c1-11-13(22-10-17-11)7-8-14-18-15(12-6-5-9-21-12)19-20(14)16(2,3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyYGPAMJBNOUKNKT-UHFFFAOYSA-N
XLogP3.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 24916500
2-[2-(3,5-dimethylphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethanamine
CID 131922638
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
1,3-dimethyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-4,5-diamine
CID 63280833
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine
CID 131934038
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole (CID 72885214) is 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCc1nc(-c2ccco2)nn1C(C)(C)C.
What is the InChIKey of 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is YGPAMJBNOUKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11-13(22-10-17-11)7-8-14-18-15(12-6-5-9-21-12)19-20(14)16(2,3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole?
5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 316.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 72885214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).