2-(aminomethyl)-1,3-thiazole-5-carbonitrile

C5H5N3S — CID 45480248

IUPAC2-(aminomethyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(CN)s1
InChIInChI=1S/C5H5N3S/c6-1-4-3-8-5(2-7)9-4/h3H,2,7H2
InChIKeyCDAUZZAJBNFDIE-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.47
Rot. Bonds1

About 2-(aminomethyl)-1,3-thiazole-5-carbonitrile

2-(aminomethyl)-1,3-thiazole-5-carbonitrile (PubChem CID 45480248) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 2-(aminomethyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-1,3-thiazole-5-carbonitrile
PubChem CID45480248
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name2-(aminomethyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(CN)s1
InChIInChI=1S/C5H5N3S/c6-1-4-3-8-5(2-7)9-4/h3H,2,7H2
InChIKeyCDAUZZAJBNFDIE-UHFFFAOYSA-N
XLogP0.47
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(aminomethyl)-1,3-thiazole-5-carbonitrile (CID 45480248) is 2-(aminomethyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-1,3-thiazole-5-carbonitrile is N#Cc1cnc(CN)s1.
What is the InChIKey of 2-(aminomethyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is CDAUZZAJBNFDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c6-1-4-3-8-5(2-7)9-4/h3H,2,7H2.
What are the key properties of 2-(aminomethyl)-1,3-thiazole-5-carbonitrile?
2-(aminomethyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 139.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 45480248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).