2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile

C14H22N2S — CID 169181924

IUPAC2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile
SMILESCCc1sc(N)c(C#N)c1C(C)(CC)C(C)C
InChIInChI=1S/C14H22N2S/c1-6-11-12(10(8-15)13(16)17-11)14(5,7-2)9(3)4/h9H,6-7,16H2,1-5H3
InChIKeyDAXKQKLVJANHCZ-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.09
Rot. Bonds4

About 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile

2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile (PubChem CID 169181924) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile
PubChem CID169181924
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile
SMILESCCc1sc(N)c(C#N)c1C(C)(CC)C(C)C
InChIInChI=1S/C14H22N2S/c1-6-11-12(10(8-15)13(16)17-11)14(5,7-2)9(3)4/h9H,6-7,16H2,1-5H3
InChIKeyDAXKQKLVJANHCZ-UHFFFAOYSA-N
XLogP4.09
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-ethyl-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 82028214
2-amino-5-butyl-4-propylthiophene-3-carbonitrile
CID 146285739
2-amino-5-chloro-4-propan-2-ylthiophene-3-carbonitrile
CID 176921061
2-amino-5-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carbonitrile
CID 82028218
3-amino-5-(butan-2-ylamino)thiophene-2,4-dicarbonitrile
CID 103423501
ethyl 3-amino-5-tert-butyl-4-cyanothiophene-2-carboxylate
CID 100766853
8-amino-1'-propan-2-ylspiro[9-thiatricyclo[4.3.0.02,4]nona-1(6),7-diene-5,3'-azetidine]-7-carbonitrile
CID 176637083
2-amino-4-butan-2-yl-7,7-difluoro-5,6-dihydro-4H-1-benzothiophene-3-carbonitrile
CID 166533727
2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CID 2887397
tert-butyl 2-amino-3-cyanospiro[6H-thieno[2,3-c]thiophene-4,3'-azetidine]-1'-carboxylate
CID 170352531
1-(2-amino-5-ethyl-4-propylthiophen-3-yl)-2,2-dimethylpropan-1-one
CID 65354690
2-amino-4-ethylfuran-3-carbonitrile
CID 3536585

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile (CID 169181924) is 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile is CCc1sc(N)c(C#N)c1C(C)(CC)C(C)C.
What is the InChIKey of 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile?
The InChIKey is DAXKQKLVJANHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-6-11-12(10(8-15)13(16)17-11)14(5,7-2)9(3)4/h9H,6-7,16H2,1-5H3.
What are the key properties of 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile?
2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile has a molecular weight of 250.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dimethylpentan-3-yl)-5-ethylthiophene-3-carbonitrile is sourced from PubChem (CID 169181924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).