N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide

C10H12N6OS2 — CID 893253

IUPACN-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide
SMILESCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
InChIInChI=1S/C10H12N6OS2/c1-2-5-16-14-9(13-15-16)12-10(18)11-8(17)7-4-3-6-19-7/h3-4,6H,2,5H2,1H3,(H2,11,12,14,17,18)
InChIKeyMFGHKHTWNAHNEX-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.27
Rot. Bonds4

About N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide

N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 893253) has the molecular formula C10H12N6OS2 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide
PubChem CID893253
Molecular FormulaC10H12N6OS2
Molecular Weight296.38 g/mol
Exact Mass296.05
IUPAC NameN-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide
SMILESCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
InChIInChI=1S/C10H12N6OS2/c1-2-5-16-14-9(13-15-16)12-10(18)11-8(17)7-4-3-6-19-7/h3-4,6H,2,5H2,1H3,(H2,11,12,14,17,18)
InChIKeyMFGHKHTWNAHNEX-UHFFFAOYSA-N
XLogP1.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide (CID 893253) is N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide is CCCn1nnc(NC(=S)NC(=O)c2cccs2)n1.
What is the InChIKey of N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is MFGHKHTWNAHNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS2/c1-2-5-16-14-9(13-15-16)12-10(18)11-8(17)7-4-3-6-19-7/h3-4,6H,2,5H2,1H3,(H2,11,12,14,17,18).
What are the key properties of N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 296.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propyltetrazol-5-yl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 893253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).