N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide

C14H14N6OS2 — CID 18778689

IUPACN-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide
SMILESCC(C)n1nnnc1Sc1ncc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C14H14N6OS2/c1-9(2)20-13(17-18-19-20)23-14-15-8-11(22-14)16-12(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,21)
InChIKeyNUBXFDYKEWMPCA-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide

N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide (PubChem CID 18778689) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide
PubChem CID18778689
Molecular FormulaC14H14N6OS2
Molecular Weight346.44 g/mol
Exact Mass346.07
IUPAC NameN-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide
SMILESCC(C)n1nnnc1Sc1ncc(NC(=O)c2ccccc2)s1
InChIInChI=1S/C14H14N6OS2/c1-9(2)20-13(17-18-19-20)23-14-15-8-11(22-14)16-12(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,21)
InChIKeyNUBXFDYKEWMPCA-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]benzamide
CID 27139618
N-[2-[[4-(5-methylsulfonylpentyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazol-5-yl]benzamide
CID 18708083
N-(2-ethyl-1,3-thiazol-5-yl)benzamide
CID 172694474
4-methyl-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708380
methyl 4-chloro-2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylate
CID 133426606
N-(phenylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 46682398
N'-[(2R)-2-(1-methyltetrazol-5-yl)sulfanylpropanoyl]benzohydrazide
CID 8873153
N-(2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 1452360
(2R)-N-(benzylcarbamoyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 40804725
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
1-[3-nitro-4-(1-propan-2-yltetrazol-5-yl)sulfanylphenyl]ethanone
CID 51245879
7-methoxy-4-[[5-(phenylcarbamoylamino)-1,3-thiazol-2-yl]sulfanyl]quinoline-6-carboxamide
CID 58674864

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide?
The IUPAC name of N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide (CID 18778689) is N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide?
The canonical SMILES for N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide is CC(C)n1nnnc1Sc1ncc(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide?
The InChIKey is NUBXFDYKEWMPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-9(2)20-13(17-18-19-20)23-14-15-8-11(22-14)16-12(21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,21).
What are the key properties of N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide?
N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide has a molecular weight of 346.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]benzamide is sourced from PubChem (CID 18778689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).