(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C15H16N6OS2 — CID 7464653

IUPAC(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H16N6OS2/c1-3-11-4-6-12(7-5-11)21-15(18-19-20-21)24-10(2)13(22)17-14-16-8-9-23-14/h4-10H,3H2,1-2H3,(H,16,17,22)/t10-/m0/s1
InChIKeyCALBGBBAOPKTJO-JTQLQIEISA-N
MW360.47 g/mol
LogP2.80
Rot. Bonds6

About (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 7464653) has the molecular formula C15H16N6OS2 and a molecular weight of 360.47 g/mol. Its IUPAC name is (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID7464653
Molecular FormulaC15H16N6OS2
Molecular Weight360.47 g/mol
Exact Mass360.08
IUPAC Name(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C15H16N6OS2/c1-3-11-4-6-12(7-5-11)21-15(18-19-20-21)24-10(2)13(22)17-14-16-8-9-23-14/h4-10H,3H2,1-2H3,(H,16,17,22)/t10-/m0/s1
InChIKeyCALBGBBAOPKTJO-JTQLQIEISA-N
XLogP2.80
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464575
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 2952050
(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464651
(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 40910484
2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46572602
(2R)-1-(4-ethylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 9407742
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 718204
(2S)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 7394235
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
(2S)-N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 9462204
(2R)-2-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 41133816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 7464653) is (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide is CCc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is CALBGBBAOPKTJO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N6OS2/c1-3-11-4-6-12(7-5-11)21-15(18-19-20-21)24-10(2)13(22)17-14-16-8-9-23-14/h4-10H,3H2,1-2H3,(H,16,17,22)/t10-/m0/s1.
What are the key properties of (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 360.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7464653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).