2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile

C8H5N3S2 — CID 141275983

IUPAC2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2cscn2)csc1N
InChIInChI=1S/C8H5N3S2/c9-1-5-6(2-13-8(5)10)7-3-12-4-11-7/h2-4H,10H2
InChIKeyVTDZQSWGUXXRFV-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.33
Rot. Bonds1

About 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile

2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile (PubChem CID 141275983) has the molecular formula C8H5N3S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile
PubChem CID141275983
Molecular FormulaC8H5N3S2
Molecular Weight207.28 g/mol
Exact Mass206.99
IUPAC Name2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2cscn2)csc1N
InChIInChI=1S/C8H5N3S2/c9-1-5-6(2-13-8(5)10)7-3-12-4-11-7/h2-4H,10H2
InChIKeyVTDZQSWGUXXRFV-UHFFFAOYSA-N
XLogP2.33
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-amino-4-methoxythiophene-3-carbonitrile
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2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile (CID 141275983) is 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile is N#Cc1c(-c2cscn2)csc1N.
What is the InChIKey of 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile?
The InChIKey is VTDZQSWGUXXRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3S2/c9-1-5-6(2-13-8(5)10)7-3-12-4-11-7/h2-4H,10H2.
What are the key properties of 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile?
2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile has a molecular weight of 207.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,3-thiazol-4-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 141275983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).