6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C17H21N5OS — CID 166306612

IUPAC6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCc1nc2sc(C)cn2c1C(=O)NCC1CCc2cn[nH]c2C1
InChIInChI=1S/C17H21N5OS/c1-3-13-15(22-9-10(2)24-17(22)20-13)16(23)18-7-11-4-5-12-8-19-21-14(12)6-11/h8-9,11H,3-7H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyFIFZZZAYJPOCGX-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.52
Rot. Bonds4

About 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 166306612) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID166306612
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCc1nc2sc(C)cn2c1C(=O)NCC1CCc2cn[nH]c2C1
InChIInChI=1S/C17H21N5OS/c1-3-13-15(22-9-10(2)24-17(22)20-13)16(23)18-7-11-4-5-12-8-19-21-14(12)6-11/h8-9,11H,3-7H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyFIFZZZAYJPOCGX-UHFFFAOYSA-N
XLogP2.52
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 166306612) is 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is CCc1nc2sc(C)cn2c1C(=O)NCC1CCc2cn[nH]c2C1.
What is the InChIKey of 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is FIFZZZAYJPOCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-3-13-15(22-9-10(2)24-17(22)20-13)16(23)18-7-11-4-5-12-8-19-21-14(12)6-11/h8-9,11H,3-7H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 166306612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).