N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C15H20N4OS — CID 50960045

IUPACN,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)c1nn(C)c2c1CCCC2
InChIInChI=1S/C15H20N4OS/c1-10(14-16-8-9-21-14)18(2)15(20)13-11-6-4-5-7-12(11)19(3)17-13/h8-10H,4-7H2,1-3H3
InChIKeyBNNNVZMWMNIMDZ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.59
Rot. Bonds3

About N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 50960045) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID50960045
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)c1nn(C)c2c1CCCC2
InChIInChI=1S/C15H20N4OS/c1-10(14-16-8-9-21-14)18(2)15(20)13-11-6-4-5-7-12(11)19(3)17-13/h8-10H,4-7H2,1-3H3
InChIKeyBNNNVZMWMNIMDZ-UHFFFAOYSA-N
XLogP2.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 50960045) is N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(c1nccs1)N(C)C(=O)c1nn(C)c2c1CCCC2.
What is the InChIKey of N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is BNNNVZMWMNIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(14-16-8-9-21-14)18(2)15(20)13-11-6-4-5-7-12(11)19(3)17-13/h8-10H,4-7H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 50960045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).