N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine

C16H18ClN3S — CID 115333433

IUPACN-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cn2ccsc2n1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3S/c1-2-6-18-15(12-4-3-5-13(17)9-12)10-14-11-20-7-8-21-16(20)19-14/h3-5,7-9,11,15,18H,2,6,10H2,1H3
InChIKeyJTZZNADRGPEOCY-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.33
Rot. Bonds6

About N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine

N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine (PubChem CID 115333433) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
PubChem CID115333433
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC NameN-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cn2ccsc2n1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3S/c1-2-6-18-15(12-4-3-5-13(17)9-12)10-14-11-20-7-8-21-16(20)19-14/h3-5,7-9,11,15,18H,2,6,10H2,1H3
InChIKeyJTZZNADRGPEOCY-UHFFFAOYSA-N
XLogP4.33
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyridin-3-ylethyl)propan-1-amine
CID 115333445
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105174226
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-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105174053
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790414
N-[1-(2,5-dibromothiophen-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 107968859
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333503
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023768
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 115333944
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 82789604
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine (CID 115333433) is N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine is CCCNC(Cc1cn2ccsc2n1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine?
The InChIKey is JTZZNADRGPEOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-2-6-18-15(12-4-3-5-13(17)9-12)10-14-11-20-7-8-21-16(20)19-14/h3-5,7-9,11,15,18H,2,6,10H2,1H3.
What are the key properties of N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine?
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine has a molecular weight of 319.86 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine is sourced from PubChem (CID 115333433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).