2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide

C8H14N6OS — CID 933904

IUPAC2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide
SMILESCn1nnc(NC(=S)NC(=O)C(C)(C)C)n1
InChIInChI=1S/C8H14N6OS/c1-8(2,3)5(15)9-7(16)10-6-11-13-14(4)12-6/h1-4H3,(H2,9,10,12,15,16)
InChIKeyTWLXIFDOFAWXTP-UHFFFAOYSA-N
MW242.31 g/mol
LogP0.07
Rot. Bonds1

About 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide

2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide (PubChem CID 933904) has the molecular formula C8H14N6OS and a molecular weight of 242.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide
PubChem CID933904
Molecular FormulaC8H14N6OS
Molecular Weight242.31 g/mol
Exact Mass242.09
IUPAC Name2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide
SMILESCn1nnc(NC(=S)NC(=O)C(C)(C)C)n1
InChIInChI=1S/C8H14N6OS/c1-8(2,3)5(15)9-7(16)10-6-11-13-14(4)12-6/h1-4H3,(H2,9,10,12,15,16)
InChIKeyTWLXIFDOFAWXTP-UHFFFAOYSA-N
XLogP0.07
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide (CID 933904) is 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide is Cn1nnc(NC(=S)NC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide?
The InChIKey is TWLXIFDOFAWXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6OS/c1-8(2,3)5(15)9-7(16)10-6-11-13-14(4)12-6/h1-4H3,(H2,9,10,12,15,16).
What are the key properties of 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide?
2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide has a molecular weight of 242.31 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]propanamide is sourced from PubChem (CID 933904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).