3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile

C11H12N4S2 — CID 103383582

IUPAC3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCCc1ccsc1CNc1snc(N)c1C#N
InChIInChI=1S/C11H12N4S2/c1-2-7-3-4-16-9(7)6-14-11-8(5-12)10(13)15-17-11/h3-4,14H,2,6H2,1H3,(H2,13,15)
InChIKeyCFOPFHPULPQUMP-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.83
Rot. Bonds4

About 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile

3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 103383582) has the molecular formula C11H12N4S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile
PubChem CID103383582
Molecular FormulaC11H12N4S2
Molecular Weight264.38 g/mol
Exact Mass264.05
IUPAC Name3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile
SMILESCCc1ccsc1CNc1snc(N)c1C#N
InChIInChI=1S/C11H12N4S2/c1-2-7-3-4-16-9(7)6-14-11-8(5-12)10(13)15-17-11/h3-4,14H,2,6H2,1H3,(H2,13,15)
InChIKeyCFOPFHPULPQUMP-UHFFFAOYSA-N
XLogP2.83
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile 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

3-amino-5-[(1-methylpyrazol-3-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383830
3-amino-5-(2-methylsulfonylethylamino)-1,2-thiazole-4-carbonitrile
CID 103383141
2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 107544856
2-chloro-6-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carbonitrile
CID 83076437
3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383180
2-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N-ethylacetamide
CID 103382963
4-[(3-ethylthiophen-2-yl)methylamino]-2-fluorobenzonitrile
CID 115367671
3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 106412732
2-N-[(3-ethylthiophen-2-yl)methyl]pyrazine-2,5-diamine
CID 80652752
3-amino-5-anilino-1,2-thiazole-4-carbonitrile
CID 14171368
3-[(3-amino-4-cyano-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
CID 103383150
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775903

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile (CID 103383582) is 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile is CCc1ccsc1CNc1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is CFOPFHPULPQUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S2/c1-2-7-3-4-16-9(7)6-14-11-8(5-12)10(13)15-17-11/h3-4,14H,2,6H2,1H3,(H2,13,15).
What are the key properties of 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 264.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-ethylthiophen-2-yl)methylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).