6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile

C13H8ClN3S2 — CID 1482356

IUPAC6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESN#Cc1c(SCc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C13H8ClN3S2/c14-10-3-1-9(2-4-10)8-19-12-11(7-15)17-5-6-18-13(17)16-12/h1-6H,8H2
InChIKeyMKKGVTZPPJLVCZ-UHFFFAOYSA-N
MW305.82 g/mol
LogP4.21
Rot. Bonds3

About 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile

6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile (PubChem CID 1482356) has the molecular formula C13H8ClN3S2 and a molecular weight of 305.82 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
PubChem CID1482356
Molecular FormulaC13H8ClN3S2
Molecular Weight305.82 g/mol
Exact Mass304.98
IUPAC Name6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESN#Cc1c(SCc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C13H8ClN3S2/c14-10-3-1-9(2-4-10)8-19-12-11(7-15)17-5-6-18-13(17)16-12/h1-6H,8H2
InChIKeyMKKGVTZPPJLVCZ-UHFFFAOYSA-N
XLogP4.21
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.82
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 1480432
6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 82363770
[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 55238469
2-amino-4-[(4-chlorophenyl)methylsulfanyl]-6-thiophen-2-ylpyrimidine-5-carbonitrile
CID 1484452
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
N-[(6-benzylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 63805227
4-[[4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]triazol-1-yl]methyl]benzonitrile
CID 155255077
3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
CID 115577669
6-(4-chlorophenyl)sulfanyl-5-nitroimidazo[2,1-b][1,3]thiazole
CID 1482508
2-benzylsulfanyl-4-(4-chlorophenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 4022523
6-[(4-chlorophenyl)methoxy]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780516
3-benzylsulfanyl-1-(4-chlorophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 2390753

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The IUPAC name of 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile (CID 1482356) is 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile.
What is the SMILES notation for 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The canonical SMILES for 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile is N#Cc1c(SCc2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The InChIKey is MKKGVTZPPJLVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3S2/c14-10-3-1-9(2-4-10)8-19-12-11(7-15)17-5-6-18-13(17)16-12/h1-6H,8H2.
What are the key properties of 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile has a molecular weight of 305.82 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile is sourced from PubChem (CID 1482356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).