N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

C10H13N3OS — CID 61381686

IUPACN-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CC#N)C(=O)c1scnc1C
InChIInChI=1S/C10H13N3OS/c1-3-5-13(6-4-11)10(14)9-8(2)12-7-15-9/h7H,3,5-6H2,1-2H3
InChIKeyDFQXWIBTLWBUJS-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.83
Rot. Bonds4

About N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 61381686) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID61381686
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CC#N)C(=O)c1scnc1C
InChIInChI=1S/C10H13N3OS/c1-3-5-13(6-4-11)10(14)9-8(2)12-7-15-9/h7H,3,5-6H2,1-2H3
InChIKeyDFQXWIBTLWBUJS-UHFFFAOYSA-N
XLogP1.83
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methyl-1,3-thiazole-5-carbonyl)-propylamino]acetic acid
CID 61011678
N-(cyanomethyl)-3-methyl-N-propylthiophene-2-carboxamide
CID 61224307
N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 43459474
2-[(4-methyl-1,3-thiazole-5-carbonyl)-prop-2-ynylamino]acetic acid
CID 79274604
2-chloro-N-(cyanomethyl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114219742
N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63390843
N-(cyanomethyl)-4-hydroxy-2-methyl-N-propylbenzamide
CID 113341373
N,4-dimethyl-N-[(2S)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112885
(2R)-2-cyano-3-(4-methyl-1,3-thiazol-5-yl)-3-oxo-N-pentylpropanamide
CID 98347666
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513
3-chloro-N-(cyanomethyl)-4-methyl-N-propylbenzamide
CID 63195064
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 61381686) is N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCN(CC#N)C(=O)c1scnc1C.
What is the InChIKey of N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is DFQXWIBTLWBUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-3-5-13(6-4-11)10(14)9-8(2)12-7-15-9/h7H,3,5-6H2,1-2H3.
What are the key properties of N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 223.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 61381686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).