N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C18H26N4OS — CID 110628695

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1nc(C(CC(C)C)NC(=O)c2n[nH]c3c2CCCC3)sc1C
InChIInChI=1S/C18H26N4OS/c1-10(2)9-15(18-19-11(3)12(4)24-18)20-17(23)16-13-7-5-6-8-14(13)21-22-16/h10,15H,5-9H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyYCUZKISEUIXAPV-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.88
Rot. Bonds5

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110628695) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110628695
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1nc(C(CC(C)C)NC(=O)c2n[nH]c3c2CCCC3)sc1C
InChIInChI=1S/C18H26N4OS/c1-10(2)9-15(18-19-11(3)12(4)24-18)20-17(23)16-13-7-5-6-8-14(13)21-22-16/h10,15H,5-9H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyYCUZKISEUIXAPV-UHFFFAOYSA-N
XLogP3.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110628695) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1nc(C(CC(C)C)NC(=O)c2n[nH]c3c2CCCC3)sc1C.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is YCUZKISEUIXAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-10(2)9-15(18-19-11(3)12(4)24-18)20-17(23)16-13-7-5-6-8-14(13)21-22-16/h10,15H,5-9H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110628695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).