6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H11ClN4O2S2 — CID 60813639

IUPAC6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H11ClN4O2S2/c1-16(8-9-3-2-4-14-7-9)21(18,19)11-10(13)15-12-17(11)5-6-20-12/h2-7H,8H2,1H3
InChIKeyRHFCRRXNDJNLHP-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.26
Rot. Bonds4

About 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60813639) has the molecular formula C12H11ClN4O2S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60813639
Molecular FormulaC12H11ClN4O2S2
Molecular Weight342.83 g/mol
Exact Mass342.00
IUPAC Name6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H11ClN4O2S2/c1-16(8-9-3-2-4-14-7-9)21(18,19)11-10(13)15-12-17(11)5-6-20-12/h2-7H,8H2,1H3
InChIKeyRHFCRRXNDJNLHP-UHFFFAOYSA-N
XLogP2.26
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
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5-chloro-N,1,3-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60813639) is 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(Cc1cccnc1)S(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is RHFCRRXNDJNLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S2/c1-16(8-9-3-2-4-14-7-9)21(18,19)11-10(13)15-12-17(11)5-6-20-12/h2-7H,8H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 342.83 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60813639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).