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N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C15H19N5OS — CID 50975034

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2cn3c(n2)SCC3)c2c1CCCC2
InChIInChI=1S/C15H19N5OS/c1-19-12-5-3-2-4-11(12)13(18-19)14(21)16-8-10-9-20-6-7-22-15(20)17-10/h9H,2-8H2,1H3,(H,16,21)
InChIKeyMOGHKEQJKLCSLE-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.53
Rot. Bonds3

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 50975034) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID50975034
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2cn3c(n2)SCC3)c2c1CCCC2
InChIInChI=1S/C15H19N5OS/c1-19-12-5-3-2-4-11(12)13(18-19)14(21)16-8-10-9-20-6-7-22-15(20)17-10/h9H,2-8H2,1H3,(H,16,21)
InChIKeyMOGHKEQJKLCSLE-UHFFFAOYSA-N
XLogP1.53
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 50975034) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)NCc2cn3c(n2)SCC3)c2c1CCCC2.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is MOGHKEQJKLCSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-19-12-5-3-2-4-11(12)13(18-19)14(21)16-8-10-9-20-6-7-22-15(20)17-10/h9H,2-8H2,1H3,(H,16,21).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 50975034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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