CID 5476747

C4H5N2S — CID 5476747

IUPAC—
SMILESCc1csc([NH])n1
InChIInChI=1S/C4H5N2S/c1-3-2-7-4(5)6-3/h2,5H,1H3
InChIKeyNDFZLDAKKPAKTM-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.37
Rot. Bonds

About CID 5476747

CID 5476747 (PubChem CID 5476747) has the molecular formula C4H5N2S and a molecular weight of 113.16 g/mol.

Molecular Properties

Compound NameCID 5476747
PubChem CID5476747
Molecular FormulaC4H5N2S
Molecular Weight113.16 g/mol
Exact Mass113.02
IUPAC Name—
SMILESCc1csc([NH])n1
InChIInChI=1S/C4H5N2S/c1-3-2-7-4(5)6-3/h2,5H,1H3
InChIKeyNDFZLDAKKPAKTM-UHFFFAOYSA-N
XLogP1.37
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-methylthiazole
CID 74143
(2-Amino-1,3-thiazol-4-YL)methyl imidothiocarbamate dihydrochloride
CID 73232
2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
CID 80240
4-tert-Butyl-1,3-thiazol-2-amine
CID 2734202
2-Thiazolamine, 4-(chloromethyl)-, hydrochloride (1:1)
CID 73228
4-Chloromethylthiazol-2-ylamine
CID 73229
2-Thiazolamine, 4-(trifluoromethyl)-
CID 1201417
3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile
CID 5075259
Famotidine cyanoamidine
CID 15572361
4-[(Dimethylamino)methyl]-1,3-thiazol-2-amine
CID 351685
2-Hydrazino-4-methyl-1,3-thiazole hydrochloride
CID 16249359
N,4-dimethyl-1,3-thiazol-2-amine
CID 817030

Frequently Asked Questions

What is the IUPAC name of CID 5476747?
The IUPAC name of CID 5476747 (CID 5476747) is not available.
What is the SMILES notation for CID 5476747?
The canonical SMILES for CID 5476747 is Cc1csc([NH])n1.
What is the InChIKey of CID 5476747?
The InChIKey is NDFZLDAKKPAKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2S/c1-3-2-7-4(5)6-3/h2,5H,1H3.
What are the key properties of CID 5476747?
CID 5476747 has a molecular weight of 113.16 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5476747 is sourced from PubChem (CID 5476747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).