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

C10H13ClN4O2S — CID 106595779

IUPAC3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C10H13ClN4O2S/c1-17-5-4-13-8(16)2-3-14-10-15-9(11)7(6-12)18-10/h2-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyZKCLXVFBYABFCT-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.23
Rot. Bonds7

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

3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 106595779) has the molecular formula C10H13ClN4O2S and a molecular weight of 288.76 g/mol. Its IUPAC name is 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID106595779
Molecular FormulaC10H13ClN4O2S
Molecular Weight288.76 g/mol
Exact Mass288.04
IUPAC Name3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNc1nc(Cl)c(C#N)s1
InChIInChI=1S/C10H13ClN4O2S/c1-17-5-4-13-8(16)2-3-14-10-15-9(11)7(6-12)18-10/h2-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyZKCLXVFBYABFCT-UHFFFAOYSA-N
XLogP1.23
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 106595444
tert-butyl N-[3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]propyl]carbamate
CID 106595892
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-methylacetamide
CID 106595138
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 106595759
ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate
CID 3851603
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
4-chloro-2-(3-methylbut-2-enylamino)-1,3-thiazole-5-carbonitrile
CID 106191529
N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide
CID 106659899
3-(3,4-dichloroanilino)-N-(2-methoxyethyl)propanamide
CID 109015130
N-(2-methoxyethyl)-3-[(5-nitro-1,3-thiazol-2-yl)amino]propanamide
CID 102771025
3-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 109015076
4-chloro-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595806

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide (CID 106595779) is 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNc1nc(Cl)c(C#N)s1.
What is the InChIKey of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is ZKCLXVFBYABFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S/c1-17-5-4-13-8(16)2-3-14-10-15-9(11)7(6-12)18-10/h2-5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide?
3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 288.76 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 106595779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).