CID 59369604

C8H9NOS — CID 59369604

IUPAC—
SMILES[CH]c1csc(C(=O)NCC)c1
InChIInChI=1S/C8H9NOS/c1-3-9-8(10)7-4-6(2)5-11-7/h2,4-5H,3H2,1H3,(H,9,10)
InChIKeySIMYGNYPFRSRQH-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.56
Rot. Bonds2

About CID 59369604

CID 59369604 (PubChem CID 59369604) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol.

Molecular Properties

Compound NameCID 59369604
PubChem CID59369604
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name—
SMILES[CH]c1csc(C(=O)NCC)c1
InChIInChI=1S/C8H9NOS/c1-3-9-8(10)7-4-6(2)5-11-7/h2,4-5H,3H2,1H3,(H,9,10)
InChIKeySIMYGNYPFRSRQH-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471527
2-[[5-(ethylcarbamoyl)thiophen-3-yl]sulfonylamino]-3-methylbutanoic acid
CID 6503964
4-[(2,6-dimethylphenoxy)methyl]-N-ethylthiophene-2-carboxamide
CID 19488699
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
2-chloro-N-ethyl-1,3-thiazole-5-carboxamide
CID 170344916
4-acetyl-N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide
CID 119640021
3-chloro-N-ethyl-1,2-thiazole-5-carboxamide
CID 127003282
4-acetyl-N-(3-aminopropyl)thiophene-2-carboxamide
CID 119405170
4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
N-ethyl-4-[(4-phenoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6504000
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
4-acetyl-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429860

Frequently Asked Questions

What is the IUPAC name of CID 59369604?
The IUPAC name of CID 59369604 (CID 59369604) is not available.
What is the SMILES notation for CID 59369604?
The canonical SMILES for CID 59369604 is [CH]c1csc(C(=O)NCC)c1.
What is the InChIKey of CID 59369604?
The InChIKey is SIMYGNYPFRSRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-3-9-8(10)7-4-6(2)5-11-7/h2,4-5H,3H2,1H3,(H,9,10).
What are the key properties of CID 59369604?
CID 59369604 has a molecular weight of 167.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369604 is sourced from PubChem (CID 59369604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).