2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole

C12H17N5OS2 — CID 75437933

IUPAC2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
SMILESCc1nc(CCSc2nnnn2CC2CCCO2)cs1
InChIInChI=1S/C12H17N5OS2/c1-9-13-10(8-20-9)4-6-19-12-14-15-16-17(12)7-11-3-2-5-18-11/h8,11H,2-7H2,1H3
InChIKeyHFBIXRIPVDOQKF-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.95
Rot. Bonds6

About 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole

2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole (PubChem CID 75437933) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
PubChem CID75437933
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
SMILESCc1nc(CCSc2nnnn2CC2CCCO2)cs1
InChIInChI=1S/C12H17N5OS2/c1-9-13-10(8-20-9)4-6-19-12-14-15-16-17(12)7-11-3-2-5-18-11/h8,11H,2-7H2,1H3
InChIKeyHFBIXRIPVDOQKF-UHFFFAOYSA-N
XLogP1.95
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-cyclopropyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 75433529
2-(2-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51259859
5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole
CID 87009371
6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24523086
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9454071
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
2-(2,4-dimethylphenyl)-4-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 30777865
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 51259109
N-(2,6-dimethylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259079

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole (CID 75437933) is 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole is Cc1nc(CCSc2nnnn2CC2CCCO2)cs1.
What is the InChIKey of 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole?
The InChIKey is HFBIXRIPVDOQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-9-13-10(8-20-9)4-6-19-12-14-15-16-17(12)7-11-3-2-5-18-11/h8,11H,2-7H2,1H3.
What are the key properties of 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole?
2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole has a molecular weight of 311.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole is sourced from PubChem (CID 75437933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).