4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole

C16H17N5OS2 — CID 17451903

IUPAC4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole
SMILESCCOc1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)cc1
InChIInChI=1S/C16H17N5OS2/c1-2-22-14-7-3-11(4-8-14)15-17-12(9-23-15)10-24-16-18-19-20-21(16)13-5-6-13/h3-4,7-9,13H,2,5-6,10H2,1H3
InChIKeyICAPODICEHBZSJ-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.82
Rot. Bonds7

About 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole

4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole (PubChem CID 17451903) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole
PubChem CID17451903
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole
SMILESCCOc1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)cc1
InChIInChI=1S/C16H17N5OS2/c1-2-22-14-7-3-11(4-8-14)15-17-12(9-23-15)10-24-16-18-19-20-21(16)13-5-6-13/h3-4,7-9,13H,2,5-6,10H2,1H3
InChIKeyICAPODICEHBZSJ-UHFFFAOYSA-N
XLogP3.82
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole (CID 17451903) is 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole is CCOc1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)cc1.
What is the InChIKey of 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole?
The InChIKey is ICAPODICEHBZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-2-22-14-7-3-11(4-8-14)15-17-12(9-23-15)10-24-16-18-19-20-21(16)13-5-6-13/h3-4,7-9,13H,2,5-6,10H2,1H3.
What are the key properties of 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole?
4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole has a molecular weight of 359.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 17451903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).