6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C10H11ClN6O2S2 — CID 64531115

IUPAC6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCc1ncn[nH]1)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H11ClN6O2S2/c11-8-9(17-4-5-20-10(17)15-8)21(18,19)14-3-1-2-7-12-6-13-16-7/h4-6,14H,1-3H2,(H,12,13,16)
InChIKeyVTPQHJSBCSADDJ-UHFFFAOYSA-N
MW346.83 g/mol
LogP1.08
Rot. Bonds6

About 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 64531115) has the molecular formula C10H11ClN6O2S2 and a molecular weight of 346.83 g/mol. Its IUPAC name is 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID64531115
Molecular FormulaC10H11ClN6O2S2
Molecular Weight346.83 g/mol
Exact Mass346.01
IUPAC Name6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCc1ncn[nH]1)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H11ClN6O2S2/c11-8-9(17-4-5-20-10(17)15-8)21(18,19)14-3-1-2-7-12-6-13-16-7/h4-6,14H,1-3H2,(H,12,13,16)
InChIKeyVTPQHJSBCSADDJ-UHFFFAOYSA-N
XLogP1.08
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 64531115) is 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(NCCCc1ncn[nH]1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is VTPQHJSBCSADDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6O2S2/c11-8-9(17-4-5-20-10(17)15-8)21(18,19)14-3-1-2-7-12-6-13-16-7/h4-6,14H,1-3H2,(H,12,13,16).
What are the key properties of 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 346.83 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 64531115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).