N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H20N4O2S — CID 72941072

IUPACN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H20N4O2S/c1-21-8-7-19(10-13-16-6-9-22-13)15(20)14-11-4-2-3-5-12(11)17-18-14/h6,9H,2-5,7-8,10H2,1H3,(H,17,18)
InChIKeyAVHLDNVQMOIQMH-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.03
Rot. Bonds6

About N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 72941072) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID72941072
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOCCN(Cc1nccs1)C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H20N4O2S/c1-21-8-7-19(10-13-16-6-9-22-13)15(20)14-11-4-2-3-5-12(11)17-18-14/h6,9H,2-5,7-8,10H2,1H3,(H,17,18)
InChIKeyAVHLDNVQMOIQMH-UHFFFAOYSA-N
XLogP2.03
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(thiazol-2-yl)ethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 71705685
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97381235
(4-Methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388961
N,N-dimethyl-6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 97388981
(4-Methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389001
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118743183
3-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 70775679
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72112506
[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 154784039
(2-Methylpyrrolidin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 155840824

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 72941072) is N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is COCCN(Cc1nccs1)C(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is AVHLDNVQMOIQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-21-8-7-19(10-13-16-6-9-22-13)15(20)14-11-4-2-3-5-12(11)17-18-14/h6,9H,2-5,7-8,10H2,1H3,(H,17,18).
What are the key properties of N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 72941072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).