3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile

C14H14ClN3O2S — CID 133390237

IUPAC3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCOc1cccc(COCCNc2snc(Cl)c2C#N)c1
InChIInChI=1S/C14H14ClN3O2S/c1-19-11-4-2-3-10(7-11)9-20-6-5-17-14-12(8-16)13(15)18-21-14/h2-4,7,17H,5-6,9H2,1H3
InChIKeyVDAUFZDMWUARBH-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.31
Rot. Bonds7

About 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile

3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 133390237) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile
PubChem CID133390237
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCOc1cccc(COCCNc2snc(Cl)c2C#N)c1
InChIInChI=1S/C14H14ClN3O2S/c1-19-11-4-2-3-10(7-11)9-20-6-5-17-14-12(8-16)13(15)18-21-14/h2-4,7,17H,5-6,9H2,1H3
InChIKeyVDAUFZDMWUARBH-UHFFFAOYSA-N
XLogP3.31
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile 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

3-amino-5-[2-(3-methoxyphenyl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 107855816
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
CID 133390213
4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
CID 133390220
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
CID 62565551
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzothiazol-2-amine
CID 133390194
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
CID 133390192
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
N-[2-[(3-methoxyphenyl)methoxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133390223
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62564771

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile (CID 133390237) is 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile is COc1cccc(COCCNc2snc(Cl)c2C#N)c1.
What is the InChIKey of 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is VDAUFZDMWUARBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-19-11-4-2-3-10(7-11)9-20-6-5-17-14-12(8-16)13(15)18-21-14/h2-4,7,17H,5-6,9H2,1H3.
What are the key properties of 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 323.81 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133390237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).