2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile

C10H15N3S — CID 95903876

IUPAC2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile
SMILESCC[C@](C)(NCC#N)c1nc(C)cs1
InChIInChI=1S/C10H15N3S/c1-4-10(3,12-6-5-11)9-13-8(2)7-14-9/h7,12H,4,6H2,1-3H3/t10-/m0/s1
InChIKeyMFMIBRJOVYFRKB-JTQLQIEISA-N
MW209.32 g/mol
LogP2.19
Rot. Bonds4

About 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile

2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile (PubChem CID 95903876) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile
PubChem CID95903876
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile
SMILESCC[C@](C)(NCC#N)c1nc(C)cs1
InChIInChI=1S/C10H15N3S/c1-4-10(3,12-6-5-11)9-13-8(2)7-14-9/h7,12H,4,6H2,1-3H3/t10-/m0/s1
InChIKeyMFMIBRJOVYFRKB-JTQLQIEISA-N
XLogP2.19
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile?
The IUPAC name of 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile (CID 95903876) is 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile?
The canonical SMILES for 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile is CC[C@](C)(NCC#N)c1nc(C)cs1.
What is the InChIKey of 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile?
The InChIKey is MFMIBRJOVYFRKB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15N3S/c1-4-10(3,12-6-5-11)9-13-8(2)7-14-9/h7,12H,4,6H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile?
2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile has a molecular weight of 209.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]amino]acetonitrile is sourced from PubChem (CID 95903876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).