2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide

C18H22N4OS — CID 59252747

IUPAC2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESCn1ncc2cc(C(C)(C)C(C)(C)C(=O)Nc3nccs3)ccc21
InChIInChI=1S/C18H22N4OS/c1-17(2,13-6-7-14-12(10-13)11-20-22(14)5)18(3,4)15(23)21-16-19-8-9-24-16/h6-11H,1-5H3,(H,19,21,23)
InChIKeyBWPWGUHZDYHHKN-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.97
Rot. Bonds4

About 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide

2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 59252747) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID59252747
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESCn1ncc2cc(C(C)(C)C(C)(C)C(=O)Nc3nccs3)ccc21
InChIInChI=1S/C18H22N4OS/c1-17(2,13-6-7-14-12(10-13)11-20-22(14)5)18(3,4)15(23)21-16-19-8-9-24-16/h6-11H,1-5H3,(H,19,21,23)
InChIKeyBWPWGUHZDYHHKN-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,3-trimethylbutyl]-3-(1,3-thiazol-2-yl)urea
CID 59251035
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
3-(4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 143671145
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59252765
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
N-(1-methylindazol-6-yl)-1,3-thiazole-2-carboxamide
CID 110467967
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethyl-N-(1,3-thiazol-2-yl)hex-5-enamide
CID 88883640
3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
2-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
2-(2-methoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 110439598
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide (CID 59252747) is 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide is Cn1ncc2cc(C(C)(C)C(C)(C)C(=O)Nc3nccs3)ccc21.
What is the InChIKey of 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is BWPWGUHZDYHHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-17(2,13-6-7-14-12(10-13)11-20-22(14)5)18(3,4)15(23)21-16-19-8-9-24-16/h6-11H,1-5H3,(H,19,21,23).
What are the key properties of 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide?
2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 342.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(1-methylindazol-5-yl)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 59252747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).