1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

C13H12ClN3S — CID 115278962

IUPAC1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESClc1cccc(CNCc2cn3ccsc3n2)c1
InChIInChI=1S/C13H12ClN3S/c14-11-3-1-2-10(6-11)7-15-8-12-9-17-4-5-18-13(17)16-12/h1-6,9,15H,7-8H2
InChIKeyJAEZIJXCNCZZBO-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine

1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (PubChem CID 115278962) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
PubChem CID115278962
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
SMILESClc1cccc(CNCc2cn3ccsc3n2)c1
InChIInChI=1S/C13H12ClN3S/c14-11-3-1-2-10(6-11)7-15-8-12-9-17-4-5-18-13(17)16-12/h1-6,9,15H,7-8H2
InChIKeyJAEZIJXCNCZZBO-UHFFFAOYSA-N
XLogP3.34
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)methyl]benzonitrile
CID 115279005
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
N-[[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115331304
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1H-pyrrol-3-yl)methanamine
CID 115686128
1-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 78977028
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
CID 107634891
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 115333433
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111639665
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111249562
1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
CID 115333797
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[2-(methoxymethyl)phenyl]methanamine
CID 115331529
1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 78918734

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine (CID 115278962) is 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is Clc1cccc(CNCc2cn3ccsc3n2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
The InChIKey is JAEZIJXCNCZZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c14-11-3-1-2-10(6-11)7-15-8-12-9-17-4-5-18-13(17)16-12/h1-6,9,15H,7-8H2.
What are the key properties of 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine?
1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine has a molecular weight of 277.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine is sourced from PubChem (CID 115278962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).