2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile

C10H8N2S — CID 136664636

IUPAC2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile
SMILESN#Cc1c(C2C=CC=C2)csc1N
InChIInChI=1S/C10H8N2S/c11-5-8-9(6-13-10(8)12)7-3-1-2-4-7/h1-4,6-7H,12H2
InChIKeyJWXUCWKRKDLCBY-UHFFFAOYSA-N
MW188.25 g/mol
LogP2.41
Rot. Bonds1

About 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile

2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile (PubChem CID 136664636) has the molecular formula C10H8N2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile
PubChem CID136664636
Molecular FormulaC10H8N2S
Molecular Weight188.25 g/mol
Exact Mass188.04
IUPAC Name2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile
SMILESN#Cc1c(C2C=CC=C2)csc1N
InChIInChI=1S/C10H8N2S/c11-5-8-9(6-13-10(8)12)7-3-1-2-4-7/h1-4,6-7H,12H2
InChIKeyJWXUCWKRKDLCBY-UHFFFAOYSA-N
XLogP2.41
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(oxolan-2-yl)thiophene-3-carbonitrile
CID 130577599
2-amino-4-methoxythiophene-3-carbonitrile
CID 22902760
2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile
CID 71565212
2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile
CID 141275983
4,5-diaminothiophene-3-carbonitrile
CID 66749990
2-amino-4-(4-tert-butylphenyl)thiophene-3-carbonitrile
CID 71565192
2-amino-4-butoxythiophene-3-carbonitrile
CID 102447325
2-amino-4-(2,4-dichlorophenyl)thiophene-3-carbonitrile
CID 672395
2-amino-4-[2-(2-bromo-3,4,5-trimethoxyphenyl)ethyl]thiophene-3-carbonitrile
CID 10644477
3,4-diamino-6-sulfanylidene-7H-thieno[3,4-c]pyridine-7-carbonitrile
CID 10966097
4-cyclopenta-2,4-dien-1-ylbenzonitrile
CID 101062638
5-amino-3-methyl-1-benzothiophene-4-carbonitrile
CID 130961168

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile (CID 136664636) is 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile is N#Cc1c(C2C=CC=C2)csc1N.
What is the InChIKey of 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile?
The InChIKey is JWXUCWKRKDLCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S/c11-5-8-9(6-13-10(8)12)7-3-1-2-4-7/h1-4,6-7H,12H2.
What are the key properties of 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile?
2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile has a molecular weight of 188.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopenta-2,4-dien-1-ylthiophene-3-carbonitrile is sourced from PubChem (CID 136664636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).