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

C14H14N6OS2 — CID 50929443

IUPAC2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C14H14N6OS2/c1-14(2,11(21)16-12-15-8-9-22-12)23-13-17-18-19-20(13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16,21)
InChIKeyXSJUVICVBUOHCO-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.63
Rot. Bonds5

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

2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 50929443) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID50929443
Molecular FormulaC14H14N6OS2
Molecular Weight346.44 g/mol
Exact Mass346.07
IUPAC Name2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C14H14N6OS2/c1-14(2,11(21)16-12-15-8-9-22-12)23-13-17-18-19-20(13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16,21)
InChIKeyXSJUVICVBUOHCO-UHFFFAOYSA-N
XLogP2.63
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
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

2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 2952050
(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 40910484
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 50929447
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 718204
(2S)-2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464653
N-(1,3-thiazol-2-yl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 26023726
2,2-difluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 81218371
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464575
1-phenyl-5-propyl-N-(1,3-thiazol-2-yl)triazole-4-carboxamide
CID 17015603
4-[5-(1,3-thiazol-2-ylsulfanyl)tetrazol-1-yl]benzoic acid
CID 18709362
(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
CID 19435783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 50929443) is 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(Sc1nnnn1-c1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is XSJUVICVBUOHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-14(2,11(21)16-12-15-8-9-22-12)23-13-17-18-19-20(13)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,15,16,21).
What are the key properties of 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 346.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 50929443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).