CID 161031196

C3H4N2NaS — CID 161031196

IUPAC—
SMILESNc1nccs1.[Na]
InChIInChI=1S/C3H4N2S.Na/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);
InChIKeyTZQGVWKXQNVSGZ-UHFFFAOYSA-N
MW123.14 g/mol
LogP0.34
Rot. Bonds

About CID 161031196

CID 161031196 (PubChem CID 161031196) has the molecular formula C3H4N2NaS and a molecular weight of 123.14 g/mol.

Molecular Properties

Compound NameCID 161031196
PubChem CID161031196
Molecular FormulaC3H4N2NaS
Molecular Weight123.14 g/mol
Exact Mass123.00
IUPAC Name—
SMILESNc1nccs1.[Na]
InChIInChI=1S/C3H4N2S.Na/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);
InChIKeyTZQGVWKXQNVSGZ-UHFFFAOYSA-N
XLogP0.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.14
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 161031196 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(213C)1,3-thiazol-2-amine
CID 87204445
benzene;1,3-thiazol-2-amine
CID 87932526
1,3-thiazol-2-amine;thiophene
CID 87384876
1,3-thiazol-2-amine;urea
CID 87216573
pyrazin-2-amine;1,3-thiazol-2-amine
CID 18993790
1,1'-biphenyl;1,3-thiazol-2-amine
CID 162233332
aniline;ethane;1,3-thiazol-2-amine
CID 145316237
1-hydroxypyrazole;1,3-thiazol-2-amine
CID 23172100
2-benzofuran-1,3-dione;1,3-thiazol-2-amine
CID 90099575
octanedioic acid;bis(1,3-thiazol-2-amine)
CID 139147698
sodium;2-chloroethylphosphonic acid;1,3-thiazol-2-amine;chlorate
CID 24848769
azane;methane;2-methyl-1,3-thiazole;hydrochloride
CID 174730432

Frequently Asked Questions

What is the IUPAC name of CID 161031196?
The IUPAC name of CID 161031196 (CID 161031196) is not available.
What is the SMILES notation for CID 161031196?
The canonical SMILES for CID 161031196 is Nc1nccs1.[Na].
What is the InChIKey of CID 161031196?
The InChIKey is TZQGVWKXQNVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.Na/c4-3-5-1-2-6-3;/h1-2H,(H2,4,5);.
What are the key properties of CID 161031196?
CID 161031196 has a molecular weight of 123.14 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161031196 is sourced from PubChem (CID 161031196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).