1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

C14H14ClN3S2 — CID 115333797

IUPAC1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESNC(CSc1cccc(Cl)c1)Cc1cn2ccsc2n1
InChIInChI=1S/C14H14ClN3S2/c15-10-2-1-3-13(6-10)20-9-11(16)7-12-8-18-4-5-19-14(18)17-12/h1-6,8,11H,7,9,16H2
InChIKeyULWCQBTXQKRVQI-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.71
Rot. Bonds5

About 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine

1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (PubChem CID 115333797) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
PubChem CID115333797
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine
SMILESNC(CSc1cccc(Cl)c1)Cc1cn2ccsc2n1
InChIInChI=1S/C14H14ClN3S2/c15-10-2-1-3-13(6-10)20-9-11(16)7-12-8-18-4-5-19-14(18)17-12/h1-6,8,11H,7,9,16H2
InChIKeyULWCQBTXQKRVQI-UHFFFAOYSA-N
XLogP3.71
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
1-(2,5-dichlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023602
4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332050
5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332020
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 115333433
1-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanol
CID 115334609
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115278962
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
CID 115334592
1-(3-chlorophenyl)sulfanyl-3-(1,3-diethylpyrazol-5-yl)propan-2-amine
CID 66147462

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine (CID 115333797) is 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is NC(CSc1cccc(Cl)c1)Cc1cn2ccsc2n1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
The InChIKey is ULWCQBTXQKRVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S2/c15-10-2-1-3-13(6-10)20-9-11(16)7-12-8-18-4-5-19-14(18)17-12/h1-6,8,11H,7,9,16H2.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine?
1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine has a molecular weight of 323.87 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-amine is sourced from PubChem (CID 115333797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).