3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine

C9H6ClN3S2 — CID 82482433

IUPAC3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine
SMILESNc1ncc2scc(-c3ccc(Cl)s3)n12
InChIInChI=1S/C9H6ClN3S2/c10-7-2-1-6(15-7)5-4-14-8-3-12-9(11)13(5)8/h1-4H,(H2,11,12)
InChIKeyFLRYTFYUQLTNTA-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.36
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine

3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine (PubChem CID 82482433) has the molecular formula C9H6ClN3S2 and a molecular weight of 255.76 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine
PubChem CID82482433
Molecular FormulaC9H6ClN3S2
Molecular Weight255.76 g/mol
Exact Mass254.97
IUPAC Name3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine
SMILESNc1ncc2scc(-c3ccc(Cl)s3)n12
InChIInChI=1S/C9H6ClN3S2/c10-7-2-1-6(15-7)5-4-14-8-3-12-9(11)13(5)8/h1-4H,(H2,11,12)
InChIKeyFLRYTFYUQLTNTA-UHFFFAOYSA-N
XLogP3.36
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
CID 117260050
3-(5-chlorothiophen-2-yl)pyrazine-2,5-diamine
CID 166793488
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine
CID 64983084
3-(5-chlorothiophen-2-yl)-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470365
2-(5-chlorothiophen-2-yl)-4-methylpyrimidin-5-amine
CID 130756455
3-(5-chlorothiophen-2-yl)pyrazolo[1,5-a]pyrimidin-6-amine
CID 117103459
5-chloro-2-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 117258864
2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole
CID 59009299
4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-5-amine
CID 82473516
2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 65180092
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid
CID 71757494
8-(5-chlorothiophen-2-yl)-7H-purin-6-amine
CID 114608421

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine (CID 82482433) is 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine is Nc1ncc2scc(-c3ccc(Cl)s3)n12.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine?
The InChIKey is FLRYTFYUQLTNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3S2/c10-7-2-1-6(15-7)5-4-14-8-3-12-9(11)13(5)8/h1-4H,(H2,11,12).
What are the key properties of 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine?
3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine has a molecular weight of 255.76 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 82482433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).