3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

C19H22FN5OS — CID 87226958

IUPAC3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cc(F)ccc2nn1C(CC(=O)Nc1nccs1)C1CCCCC1
InChIInChI=1S/C19H22FN5OS/c20-13-6-7-15-14(10-13)18(21)25(24-15)16(12-4-2-1-3-5-12)11-17(26)23-19-22-8-9-27-19/h6-10,12,16H,1-5,11,21H2,(H,22,23,26)
InChIKeyDHDCVUDIKYKHKK-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.36
Rot. Bonds5

About 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87226958) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID87226958
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC Name3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cc(F)ccc2nn1C(CC(=O)Nc1nccs1)C1CCCCC1
InChIInChI=1S/C19H22FN5OS/c20-13-6-7-15-14(10-13)18(21)25(24-15)16(12-4-2-1-3-5-12)11-17(26)23-19-22-8-9-27-19/h6-10,12,16H,1-5,11,21H2,(H,22,23,26)
InChIKeyDHDCVUDIKYKHKK-UHFFFAOYSA-N
XLogP4.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 72188916
(S)-N1-(5-(3-amino-1-methyl-1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654341
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24936727
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24936729
3-cyclohexyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 24936732
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 59252761
3-cyclopentyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 59252796
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3-thiazol-2-yl)pentanamide
CID 59252800
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 59252854
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-1,3-thiazol-2-ylacrylamide
CID 2173119

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (CID 87226958) is 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is Nc1c2cc(F)ccc2nn1C(CC(=O)Nc1nccs1)C1CCCCC1.
What is the InChIKey of 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is DHDCVUDIKYKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c20-13-6-7-15-14(10-13)18(21)25(24-15)16(12-4-2-1-3-5-12)11-17(26)23-19-22-8-9-27-19/h6-10,12,16H,1-5,11,21H2,(H,22,23,26).
What are the key properties of 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 387.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87226958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).