N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine

C16H19N3S2 — CID 105023665

IUPACN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
SMILESCCNC(Cc1cn2ccsc2n1)c1ccc(SC)cc1
InChIInChI=1S/C16H19N3S2/c1-3-17-15(12-4-6-14(20-2)7-5-12)10-13-11-19-8-9-21-16(19)18-13/h4-9,11,15,17H,3,10H2,1-2H3
InChIKeyCEMMPKSZHYXNOP-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.01
Rot. Bonds6

About N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine

N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 105023665) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID105023665
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC NameN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
SMILESCCNC(Cc1cn2ccsc2n1)c1ccc(SC)cc1
InChIInChI=1S/C16H19N3S2/c1-3-17-15(12-4-6-14(20-2)7-5-12)10-13-11-19-8-9-21-16(19)18-13/h4-9,11,15,17H,3,10H2,1-2H3
InChIKeyCEMMPKSZHYXNOP-UHFFFAOYSA-N
XLogP4.01
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333503
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 82789604
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanol
CID 115828185
1-(3-chloro-4-methylphenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023712
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105174221
1-(2,5-difluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333650
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
CID 105023630
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 107946543
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105174090
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
(1R)-1-(4-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-1-amine
CID 97230778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine (CID 105023665) is N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine is CCNC(Cc1cn2ccsc2n1)c1ccc(SC)cc1.
What is the InChIKey of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is CEMMPKSZHYXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-3-17-15(12-4-6-14(20-2)7-5-12)10-13-11-19-8-9-21-16(19)18-13/h4-9,11,15,17H,3,10H2,1-2H3.
What are the key properties of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine?
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 317.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 105023665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).