2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide

C14H14N6OS2 — CID 2952050

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C14H14N6OS2/c1-2-11(12(21)16-13-15-8-9-22-13)23-14-17-18-19-20(14)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,15,16,21)
InChIKeyRYHRLMYFSSEMNB-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.63
Rot. Bonds6

About 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2952050) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2952050
Molecular FormulaC14H14N6OS2
Molecular Weight346.44 g/mol
Exact Mass346.07
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C14H14N6OS2/c1-2-11(12(21)16-13-15-8-9-22-13)23-14-17-18-19-20(14)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,15,16,21)
InChIKeyRYHRLMYFSSEMNB-UHFFFAOYSA-N
XLogP2.63
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 40910484
(2S)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2217909
(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464653
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 23914436
2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 50929443
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464575
(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
2-[[4-ethyl-5-[1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 43869011
(2S)-2-[[4-(2-methylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 39819198
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 2952251
2-[[4-propan-2-yl-5-[1-(2-propan-2-ylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 43866772
3-(1-phenyltetrazol-5-yl)sulfanylpentanoic acid
CID 63098412

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide (CID 2952050) is 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide is CCC(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is RYHRLMYFSSEMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-2-11(12(21)16-13-15-8-9-22-13)23-14-17-18-19-20(14)10-6-4-3-5-7-10/h3-9,11H,2H2,1H3,(H,15,16,21).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide?
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 346.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2952050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).