2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile

C12H11N3OS2 — CID 146215729

IUPAC2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile
SMILESCc1ccc(-c2csc(NCC(C#N)C=O)n2)s1
InChIInChI=1S/C12H11N3OS2/c1-8-2-3-11(18-8)10-7-17-12(15-10)14-5-9(4-13)6-16/h2-3,6-7,9H,5H2,1H3,(H,14,15)
InChIKeyPQMRAOSRPCOMGD-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.93
Rot. Bonds5

About 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile

2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile (PubChem CID 146215729) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile
PubChem CID146215729
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile
SMILESCc1ccc(-c2csc(NCC(C#N)C=O)n2)s1
InChIInChI=1S/C12H11N3OS2/c1-8-2-3-11(18-8)10-7-17-12(15-10)14-5-9(4-13)6-16/h2-3,6-7,9H,5H2,1H3,(H,14,15)
InChIKeyPQMRAOSRPCOMGD-UHFFFAOYSA-N
XLogP2.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile 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

N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 112771343
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 8750414
7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119689440
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-4-nitrobenzenesulfonamide
CID 4060858
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793
2-ethyl-4-(5-methylthiophen-2-yl)-1,3-thiazole
CID 130157214
N-(2-methylpropyl)-4-(3-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 63992614
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422498

Frequently Asked Questions

What is the IUPAC name of 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile?
The IUPAC name of 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile (CID 146215729) is 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile.
What is the SMILES notation for 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile?
The canonical SMILES for 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile is Cc1ccc(-c2csc(NCC(C#N)C=O)n2)s1.
What is the InChIKey of 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile?
The InChIKey is PQMRAOSRPCOMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-8-2-3-11(18-8)10-7-17-12(15-10)14-5-9(4-13)6-16/h2-3,6-7,9H,5H2,1H3,(H,14,15).
What are the key properties of 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile?
2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile has a molecular weight of 277.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile is sourced from PubChem (CID 146215729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).