5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile

C13H17N3OS — CID 114112769

IUPAC5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile
SMILESCCCC1CC1Nc1sc(C(C)=O)c(N)c1C#N
InChIInChI=1S/C13H17N3OS/c1-3-4-8-5-10(8)16-13-9(6-14)11(15)12(18-13)7(2)17/h8,10,16H,3-5,15H2,1-2H3
InChIKeyRNFBVYIZFWUOCE-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.01
Rot. Bonds5

About 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile

5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile (PubChem CID 114112769) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile
PubChem CID114112769
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile
SMILESCCCC1CC1Nc1sc(C(C)=O)c(N)c1C#N
InChIInChI=1S/C13H17N3OS/c1-3-4-8-5-10(8)16-13-9(6-14)11(15)12(18-13)7(2)17/h8,10,16H,3-5,15H2,1-2H3
InChIKeyRNFBVYIZFWUOCE-UHFFFAOYSA-N
XLogP3.01
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526086
3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide
CID 103526118
3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525501
5-acetyl-4-amino-2-(oxolan-2-ylmethylamino)thiophene-3-carbonitrile
CID 103426505
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
CID 103427568
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
5-acetyl-4-amino-2-[(1-methylpyrrolidin-2-yl)methylamino]thiophene-3-carbonitrile
CID 106029461
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327
5-acetyl-4-amino-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carbonitrile
CID 106296531
5-acetyl-4-amino-2-(3,4-dihydroxypyrrolidin-1-yl)thiophene-3-carbonitrile
CID 106675006
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile?
The IUPAC name of 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile (CID 114112769) is 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile.
What is the SMILES notation for 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile?
The canonical SMILES for 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile is CCCC1CC1Nc1sc(C(C)=O)c(N)c1C#N.
What is the InChIKey of 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile?
The InChIKey is RNFBVYIZFWUOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-4-8-5-10(8)16-13-9(6-14)11(15)12(18-13)7(2)17/h8,10,16H,3-5,15H2,1-2H3.
What are the key properties of 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile?
5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile has a molecular weight of 263.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-[(2-propylcyclopropyl)amino]thiophene-3-carbonitrile is sourced from PubChem (CID 114112769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).