4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole

C15H17N5OS2 — CID 32654597

IUPAC4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
SMILESc1coc(-c2nc(CSc3nnnn3C3CCCCC3)cs2)c1
InChIInChI=1S/C15H17N5OS2/c1-2-5-12(6-3-1)20-15(17-18-19-20)23-10-11-9-22-14(16-11)13-7-4-8-21-13/h4,7-9,12H,1-3,5-6,10H2
InChIKeyYNAMNBPRGVEZQV-UHFFFAOYSA-N
MW347.47 g/mol
LogP4.19
Rot. Bonds5

About 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole

4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole (PubChem CID 32654597) has the molecular formula C15H17N5OS2 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
PubChem CID32654597
Molecular FormulaC15H17N5OS2
Molecular Weight347.47 g/mol
Exact Mass347.09
IUPAC Name4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
SMILESc1coc(-c2nc(CSc3nnnn3C3CCCCC3)cs2)c1
InChIInChI=1S/C15H17N5OS2/c1-2-5-12(6-3-1)20-15(17-18-19-20)23-10-11-9-22-14(16-11)13-7-4-8-21-13/h4,7-9,12H,1-3,5-6,10H2
InChIKeyYNAMNBPRGVEZQV-UHFFFAOYSA-N
XLogP4.19
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 31398044
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 47154142
2-(furan-2-yl)-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanylmethyl)-1,3-thiazole
CID 30386707
4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole
CID 17451903
[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314037
2-(furan-2-yl)-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 55529697
2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 47019397
2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47142123
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 79134488
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
1-cyclohexyl-5-[3-(1-cyclohexyltetrazol-5-yl)sulfanylpropylsulfanyl]tetrazole
CID 13061970
2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
CID 17458002

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole?
The IUPAC name of 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole (CID 32654597) is 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole is c1coc(-c2nc(CSc3nnnn3C3CCCCC3)cs2)c1.
What is the InChIKey of 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole?
The InChIKey is YNAMNBPRGVEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS2/c1-2-5-12(6-3-1)20-15(17-18-19-20)23-10-11-9-22-14(16-11)13-7-4-8-21-13/h4,7-9,12H,1-3,5-6,10H2.
What are the key properties of 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole?
4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole has a molecular weight of 347.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole is sourced from PubChem (CID 32654597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).