2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile

C7H9N3S — CID 150338018

IUPAC2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile
SMILESC[C@H](N)Cc1nc(C#N)cs1
InChIInChI=1S/C7H9N3S/c1-5(9)2-7-10-6(3-8)4-11-7/h4-5H,2,9H2,1H3/t5-/m0/s1
InChIKeyGRCCOJZWGZVXFS-YFKPBYRVSA-N
MW167.24 g/mol
LogP0.90
Rot. Bonds2

About 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile

2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile (PubChem CID 150338018) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile
PubChem CID150338018
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile
SMILESC[C@H](N)Cc1nc(C#N)cs1
InChIInChI=1S/C7H9N3S/c1-5(9)2-7-10-6(3-8)4-11-7/h4-5H,2,9H2,1H3/t5-/m0/s1
InChIKeyGRCCOJZWGZVXFS-YFKPBYRVSA-N
XLogP0.90
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile (CID 150338018) is 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile is C[C@H](N)Cc1nc(C#N)cs1.
What is the InChIKey of 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile?
The InChIKey is GRCCOJZWGZVXFS-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9N3S/c1-5(9)2-7-10-6(3-8)4-11-7/h4-5H,2,9H2,1H3/t5-/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile?
2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile has a molecular weight of 167.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 150338018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).