N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide

C9H12N4OS — CID 61043735

IUPACN-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
SMILESCc1csc(CNCC(=O)NCC#N)n1
InChIInChI=1S/C9H12N4OS/c1-7-6-15-9(13-7)5-11-4-8(14)12-3-2-10/h6,11H,3-5H2,1H3,(H,12,14)
InChIKeyXRRIXOLBFNCFAM-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.18
Rot. Bonds5

About N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide

N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide (PubChem CID 61043735) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
PubChem CID61043735
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
SMILESCc1csc(CNCC(=O)NCC#N)n1
InChIInChI=1S/C9H12N4OS/c1-7-6-15-9(13-7)5-11-4-8(14)12-3-2-10/h6,11H,3-5H2,1H3,(H,12,14)
InChIKeyXRRIXOLBFNCFAM-UHFFFAOYSA-N
XLogP0.18
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924252
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
N-(2-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 54913747
3-chloro-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]prop-2-en-1-amine
CID 106437542
N-ethyl-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide
CID 61043383
3-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]but-2-enoic acid
CID 103242297
2-cyano-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55208431
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
methyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butanoate
CID 61043385
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
N-(cyanomethyl)-2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 112669044

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide (CID 61043735) is N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide is Cc1csc(CNCC(=O)NCC#N)n1.
What is the InChIKey of N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide?
The InChIKey is XRRIXOLBFNCFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-7-6-15-9(13-7)5-11-4-8(14)12-3-2-10/h6,11H,3-5H2,1H3,(H,12,14).
What are the key properties of N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide?
N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide has a molecular weight of 224.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]acetamide is sourced from PubChem (CID 61043735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).