5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole

C13H13ClN4S2 — CID 702061

IUPAC5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2nc3scc(C)n3c2Cl)n1
InChIInChI=1S/C13H13ClN4S2/c1-7-4-8(2)16-12(15-7)19-6-10-11(14)18-9(3)5-20-13(18)17-10/h4-5H,6H2,1-3H3
InChIKeyMINHXZODKBEMCT-UHFFFAOYSA-N
MW324.86 g/mol
LogP4.06
Rot. Bonds3

About 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole

5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 702061) has the molecular formula C13H13ClN4S2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID702061
Molecular FormulaC13H13ClN4S2
Molecular Weight324.86 g/mol
Exact Mass324.03
IUPAC Name5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2nc3scc(C)n3c2Cl)n1
InChIInChI=1S/C13H13ClN4S2/c1-7-4-8(2)16-12(15-7)19-6-10-11(14)18-9(3)5-20-13(18)17-10/h4-5H,6H2,1-3H3
InChIKeyMINHXZODKBEMCT-UHFFFAOYSA-N
XLogP4.06
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

6-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-3-methylimidazo[2,1-b][1,3]thiazole
CID 700769
5-Bromo-6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-3-methylimidazo[2,1-b][1,3]thiazole
CID 1385082
2-(Imidazo[2,1-b]1,3-thiazolin-6-ylmethylthio)-4,6-dimethylpyrimidine
CID 768656
6-(4,6-Dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole
CID 804229
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 3341379
N-[(E)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9665083
1-(6-Chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-(4,6-dimethylpyrimidin-2-yl)urea
CID 140059576
5-Chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 5067612
N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 5798067
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013504
[6-(4,6-Dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63809494

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (CID 702061) is 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is Cc1cc(C)nc(SCc2nc3scc(C)n3c2Cl)n1.
What is the InChIKey of 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is MINHXZODKBEMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S2/c1-7-4-8(2)16-12(15-7)19-6-10-11(14)18-9(3)5-20-13(18)17-10/h4-5H,6H2,1-3H3.
What are the key properties of 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 324.86 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 702061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).