5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

C15H17N5S2 — CID 78760424

IUPAC5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2ncc(CSc3nnnn3C)s2)cc1
InChIInChI=1S/C15H17N5S2/c1-10(2)11-4-6-12(7-5-11)14-16-8-13(22-14)9-21-15-17-18-19-20(15)3/h4-8,10H,9H2,1-3H3
InChIKeyFKOUXCBWVYJIED-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.75
Rot. Bonds5

About 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole

5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 78760424) has the molecular formula C15H17N5S2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
PubChem CID78760424
Molecular FormulaC15H17N5S2
Molecular Weight331.47 g/mol
Exact Mass331.09
IUPAC Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
SMILESCC(C)c1ccc(-c2ncc(CSc3nnnn3C)s2)cc1
InChIInChI=1S/C15H17N5S2/c1-10(2)11-4-6-12(7-5-11)14-16-8-13(22-14)9-21-15-17-18-19-20(15)3/h4-8,10H,9H2,1-3H3
InChIKeyFKOUXCBWVYJIED-UHFFFAOYSA-N
XLogP3.75
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole (CID 78760424) is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is CC(C)c1ccc(-c2ncc(CSc3nnnn3C)s2)cc1.
What is the InChIKey of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is FKOUXCBWVYJIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S2/c1-10(2)11-4-6-12(7-5-11)14-16-8-13(22-14)9-21-15-17-18-19-20(15)3/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole?
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 331.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 78760424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).