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

C16H22N4OS — CID 56753522

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1nc(CCNC(=O)c2c3c(nn2C)CCCC3)sc1C
InChIInChI=1S/C16H22N4OS/c1-10-11(2)22-14(18-10)8-9-17-16(21)15-12-6-4-5-7-13(12)19-20(15)3/h4-9H2,1-3H3,(H,17,21)
InChIKeyZVFKLIUBFUWSKW-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.34
Rot. Bonds4

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 56753522) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID56753522
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1nc(CCNC(=O)c2c3c(nn2C)CCCC3)sc1C
InChIInChI=1S/C16H22N4OS/c1-10-11(2)22-14(18-10)8-9-17-16(21)15-12-6-4-5-7-13(12)19-20(15)3/h4-9H2,1-3H3,(H,17,21)
InChIKeyZVFKLIUBFUWSKW-UHFFFAOYSA-N
XLogP2.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 56753522) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1nc(CCNC(=O)c2c3c(nn2C)CCCC3)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is ZVFKLIUBFUWSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-11(2)22-14(18-10)8-9-17-16(21)15-12-6-4-5-7-13(12)19-20(15)3/h4-9H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 56753522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).