2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile

C7H9N3S — CID 79421779

IUPAC2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile
SMILESCN(CC#N)Cc1nccs1
InChIInChI=1S/C7H9N3S/c1-10(4-2-8)6-7-9-3-5-11-7/h3,5H,4,6H2,1H3
InChIKeyLXNJIZXLLMJQAW-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.10
Rot. Bonds3

About 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile

2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile (PubChem CID 79421779) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile
PubChem CID79421779
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile
SMILESCN(CC#N)Cc1nccs1
InChIInChI=1S/C7H9N3S/c1-10(4-2-8)6-7-9-3-5-11-7/h3,5H,4,6H2,1H3
InChIKeyLXNJIZXLLMJQAW-UHFFFAOYSA-N
XLogP1.10
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-thiazol-2-yl)acetonitrile
CID 4913352
4-[methyl(1,3-thiazol-2-ylmethyl)amino]benzonitrile
CID 79214308
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900861
N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-ynamide
CID 130614901
2-[methyl-[(2-oxo-3H-1,3,4-thiadiazol-5-yl)methyl]amino]acetonitrile
CID 130614589
4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 75524467
2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol
CID 115752782
1-[methyl(1,3-thiazol-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111613528
6-methyl-2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]pyridin-3-ol
CID 136519670
(2S)-3-methyl-2-[4-[2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetyl]piperazin-1-yl]butanenitrile
CID 97126229

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile?
The IUPAC name of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile (CID 79421779) is 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile is CN(CC#N)Cc1nccs1.
What is the InChIKey of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile?
The InChIKey is LXNJIZXLLMJQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-10(4-2-8)6-7-9-3-5-11-7/h3,5H,4,6H2,1H3.
What are the key properties of 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile?
2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile has a molecular weight of 167.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile is sourced from PubChem (CID 79421779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).