CID 59694819

C6H8N2S — CID 59694819

IUPAC—
SMILES[CH]CCNc1nccs1
InChIInChI=1S/C6H8N2S/c1-2-3-7-6-8-4-5-9-6/h1,4-5H,2-3H2,(H,7,8)
InChIKeyLRSDXEKGUXMIMS-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.66
Rot. Bonds3

About CID 59694819

CID 59694819 (PubChem CID 59694819) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol.

Molecular Properties

Compound NameCID 59694819
PubChem CID59694819
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name—
SMILES[CH]CCNc1nccs1
InChIInChI=1S/C6H8N2S/c1-2-3-7-6-8-4-5-9-6/h1,4-5H,2-3H2,(H,7,8)
InChIKeyLRSDXEKGUXMIMS-UHFFFAOYSA-N
XLogP1.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62663409
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 60659943
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
N-(3-chloro-4-methoxybutyl)-1,3-thiazol-2-amine
CID 106243006
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60701896
N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide
CID 106337764

Frequently Asked Questions

What is the IUPAC name of CID 59694819?
The IUPAC name of CID 59694819 (CID 59694819) is not available.
What is the SMILES notation for CID 59694819?
The canonical SMILES for CID 59694819 is [CH]CCNc1nccs1.
What is the InChIKey of CID 59694819?
The InChIKey is LRSDXEKGUXMIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-3-7-6-8-4-5-9-6/h1,4-5H,2-3H2,(H,7,8).
What are the key properties of CID 59694819?
CID 59694819 has a molecular weight of 140.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59694819 is sourced from PubChem (CID 59694819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).