N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C13H16N6OS — CID 70750432

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C13H16N6OS/c1-9-15-10(2)19(17-9)5-3-4-14-12(20)11-8-18-6-7-21-13(18)16-11/h6-8H,3-5H2,1-2H3,(H,14,20)
InChIKeyQMKFVXYFILROAY-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.42
Rot. Bonds5

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

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70750432) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70750432
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1nc(C)n(CCCNC(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C13H16N6OS/c1-9-15-10(2)19(17-9)5-3-4-14-12(20)11-8-18-6-7-21-13(18)16-11/h6-8H,3-5H2,1-2H3,(H,14,20)
InChIKeyQMKFVXYFILROAY-UHFFFAOYSA-N
XLogP1.42
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
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 N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70750432) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1nc(C)n(CCCNC(=O)c2cn3ccsc3n2)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is QMKFVXYFILROAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-9-15-10(2)19(17-9)5-3-4-14-12(20)11-8-18-6-7-21-13(18)16-11/h6-8H,3-5H2,1-2H3,(H,14,20).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70750432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).