3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide

C10H12N4S2 — CID 43140044

IUPAC3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide
SMILESCN(CCC(N)=S)c1ncnc2sccc12
InChIInChI=1S/C10H12N4S2/c1-14(4-2-8(11)15)9-7-3-5-16-10(7)13-6-12-9/h3,5-6H,2,4H2,1H3,(H2,11,15)
InChIKeyIDVNTFOGKNERPN-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.80
Rot. Bonds4

About 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide

3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide (PubChem CID 43140044) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide.

Molecular Properties

Compound Name3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide
PubChem CID43140044
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide
SMILESCN(CCC(N)=S)c1ncnc2sccc12
InChIInChI=1S/C10H12N4S2/c1-14(4-2-8(11)15)9-7-3-5-16-10(7)13-6-12-9/h3,5-6H,2,4H2,1H3,(H2,11,15)
InChIKeyIDVNTFOGKNERPN-UHFFFAOYSA-N
XLogP1.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide 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

methyl 4-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 62004620
N',2,2-trimethyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
CID 79653232
N-cyclopropyl-N'-methyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62587122
N-[3-(4-chlorophenoxy)propyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 71891705
N-[(3,4-dichlorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 9195393
N-tert-butyl-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 8566631
N-(2-bromoethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80673016
N-(2,6-dichlorophenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195570
N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383
3-[(3-bromo-2-pyridinyl)-methylamino]propanethioamide
CID 61373156
N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195854
2,2-dimethyl-N'-propyl-N'-thieno[2,3-d]pyrimidin-4-ylpropane-1,3-diamine
CID 79662112

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide?
The IUPAC name of 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide (CID 43140044) is 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide.
What is the SMILES notation for 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide?
The canonical SMILES for 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide is CN(CCC(N)=S)c1ncnc2sccc12.
What is the InChIKey of 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide?
The InChIKey is IDVNTFOGKNERPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-14(4-2-8(11)15)9-7-3-5-16-10(7)13-6-12-9/h3,5-6H,2,4H2,1H3,(H2,11,15).
What are the key properties of 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide?
3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide has a molecular weight of 252.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]propanethioamide is sourced from PubChem (CID 43140044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).