CID 59369515

C10H13N3OS — CID 59369515

IUPAC—
SMILES[CH]c1cncc(C(=O)N(C)CCSC)n1
InChIInChI=1S/C10H13N3OS/c1-8-6-11-7-9(12-8)10(14)13(2)4-5-15-3/h1,6-7H,4-5H2,2-3H3
InChIKeyMFFPCSOTTWBCMU-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.97
Rot. Bonds4

About CID 59369515

CID 59369515 (PubChem CID 59369515) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol.

Molecular Properties

Compound NameCID 59369515
PubChem CID59369515
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name—
SMILES[CH]c1cncc(C(=O)N(C)CCSC)n1
InChIInChI=1S/C10H13N3OS/c1-8-6-11-7-9(12-8)10(14)13(2)4-5-15-3/h1,6-7H,4-5H2,2-3H3
InChIKeyMFFPCSOTTWBCMU-UHFFFAOYSA-N
XLogP0.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
CID 112698098
CID 59369483
CID 59369483
4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892993
CID 59369486
CID 59369486
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
6-chloro-N-methyl-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 106551043
4-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 112664397
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982
5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide
CID 112663204
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112663397
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 115987219

Frequently Asked Questions

What is the IUPAC name of CID 59369515?
The IUPAC name of CID 59369515 (CID 59369515) is not available.
What is the SMILES notation for CID 59369515?
The canonical SMILES for CID 59369515 is [CH]c1cncc(C(=O)N(C)CCSC)n1.
What is the InChIKey of CID 59369515?
The InChIKey is MFFPCSOTTWBCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8-6-11-7-9(12-8)10(14)13(2)4-5-15-3/h1,6-7H,4-5H2,2-3H3.
What are the key properties of CID 59369515?
CID 59369515 has a molecular weight of 223.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369515 is sourced from PubChem (CID 59369515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).