3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide

C8H9ClN4OS — CID 106595444

IUPAC3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H9ClN4OS/c1-11-6(14)2-3-12-8-13-7(9)5(4-10)15-8/h2-3H2,1H3,(H,11,14)(H,12,13)
InChIKeyLBEOEXYIFYBJFS-UHFFFAOYSA-N
MW244.71 g/mol
LogP1.22
Rot. Bonds4

About 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide

3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide (PubChem CID 106595444) has the molecular formula C8H9ClN4OS and a molecular weight of 244.71 g/mol. Its IUPAC name is 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide
PubChem CID106595444
Molecular FormulaC8H9ClN4OS
Molecular Weight244.71 g/mol
Exact Mass244.02
IUPAC Name3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H9ClN4OS/c1-11-6(14)2-3-12-8-13-7(9)5(4-10)15-8/h2-3H2,1H3,(H,11,14)(H,12,13)
InChIKeyLBEOEXYIFYBJFS-UHFFFAOYSA-N
XLogP1.22
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-2-(propan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106594972
N-(4-chloro-5-methyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 176865985
4-Chloro-2-[2-[2-(dimethylamino)ethoxy]ethylamino]-1,3-thiazole-5-carbonitrile
CID 105913572
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethyl-N-methylacetamide
CID 105966989
4-Chloro-2-[3-[methyl(propan-2-yl)amino]propylamino]-1,3-thiazole-5-carbonitrile
CID 106048456
3-[(4-Chloro-5-cyano-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 106097329
4-Chloro-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-1,3-thiazole-5-carbonitrile
CID 106149062
3-[(4-Chloro-5-cyano-1,3-thiazol-2-yl)amino]-2-hydroxypropanamide
CID 106177732
4-Chloro-2-[(5-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile
CID 106192008
5-[(4-Chloro-5-cyano-1,3-thiazol-2-yl)amino]pentanamide
CID 106238866
2-[2-[(4-Chloro-5-cyano-1,3-thiazol-2-yl)amino]ethoxy]acetamide
CID 106239605
4-Chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile
CID 106258413

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide (CID 106595444) is 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
The InChIKey is LBEOEXYIFYBJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4OS/c1-11-6(14)2-3-12-8-13-7(9)5(4-10)15-8/h2-3H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide?
3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide has a molecular weight of 244.71 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 106595444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).