3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

C15H16ClN3OS — CID 60942648

IUPAC3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCCOc1ccc(NCc2c(C)nc3sccn23)cc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-3-20-14-5-4-11(8-12(14)16)17-9-13-10(2)18-15-19(13)6-7-21-15/h4-8,17H,3,9H2,1-2H3
InChIKeyGWOGHPLAVNQRKE-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.37
Rot. Bonds5

About 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 60942648) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
PubChem CID60942648
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCCOc1ccc(NCc2c(C)nc3sccn23)cc1Cl
InChIInChI=1S/C15H16ClN3OS/c1-3-20-14-5-4-11(8-12(14)16)17-9-13-10(2)18-15-19(13)6-7-21-15/h4-8,17H,3,9H2,1-2H3
InChIKeyGWOGHPLAVNQRKE-UHFFFAOYSA-N
XLogP4.37
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 115743258
3-fluoro-4-methoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43775875
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1,3-benzothiazol-6-amine
CID 43780738
4-butyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43769718
3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43773324
4-chloro-2-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107632054
4-bromo-2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43774905
2-chloro-5-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107527401
3-chloro-4-ethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54864080
2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
CID 43782424
4-bromo-3,5-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107572015

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 60942648) is 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is CCOc1ccc(NCc2c(C)nc3sccn23)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is GWOGHPLAVNQRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-3-20-14-5-4-11(8-12(14)16)17-9-13-10(2)18-15-19(13)6-7-21-15/h4-8,17H,3,9H2,1-2H3.
What are the key properties of 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 321.83 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60942648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).