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

C12H14N6OS — CID 70736042

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1nc(C)n(CCNC(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C12H14N6OS/c1-8-14-9(2)18(16-8)4-3-13-11(19)10-7-17-5-6-20-12(17)15-10/h5-7H,3-4H2,1-2H3,(H,13,19)
InChIKeyNPQKLJKSCZAVHG-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.03
Rot. Bonds4

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

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 70736042) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID70736042
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1nc(C)n(CCNC(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C12H14N6OS/c1-8-14-9(2)18(16-8)4-3-13-11(19)10-7-17-5-6-20-12(17)15-10/h5-7H,3-4H2,1-2H3,(H,13,19)
InChIKeyNPQKLJKSCZAVHG-UHFFFAOYSA-N
XLogP1.03
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 70736042) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1nc(C)n(CCNC(=O)c2cn3ccsc3n2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is NPQKLJKSCZAVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-8-14-9(2)18(16-8)4-3-13-11(19)10-7-17-5-6-20-12(17)15-10/h5-7H,3-4H2,1-2H3,(H,13,19).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 70736042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).