2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole

C12H11N5S2 — CID 972372

IUPAC2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1nc(CSc2nnnn2-c2ccccc2)cs1
InChIInChI=1S/C12H11N5S2/c1-9-13-10(7-18-9)8-19-12-14-15-16-17(12)11-5-3-2-4-6-11/h2-7H,8H2,1H3
InChIKeyKVQAHIFRRRSGOF-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole

2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 972372) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID972372
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
SMILESCc1nc(CSc2nnnn2-c2ccccc2)cs1
InChIInChI=1S/C12H11N5S2/c1-9-13-10(7-18-9)8-19-12-14-15-16-17(12)11-5-3-2-4-6-11/h2-7H,8H2,1H3
InChIKeyKVQAHIFRRRSGOF-UHFFFAOYSA-N
XLogP2.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 9330004
2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51140145
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78762775
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
4-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-ethyl-1,3-thiazole
CID 18166238
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
N-[4-[[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825410
8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40663459
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 4793112
2-(5-methylfuran-2-yl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 39530014
N-[3-[5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 46572672
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole (CID 972372) is 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole is Cc1nc(CSc2nnnn2-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is KVQAHIFRRRSGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-9-13-10(7-18-9)8-19-12-14-15-16-17(12)11-5-3-2-4-6-11/h2-7H,8H2,1H3.
What are the key properties of 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 289.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 972372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).