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

C19H22FN5OS — CID 66989748

IUPACN-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cc(F)ccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1
InChIInChI=1S/C19H22FN5OS/c20-14-7-8-16-15(12-14)18(21)25(23-16)24(19-22-10-11-27-19)17(26)9-6-13-4-2-1-3-5-13/h7-8,10-13H,1-6,9,21H2
InChIKeyUMRUVVLEZWPCLO-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.37
Rot. Bonds5

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

N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 66989748) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID66989748
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC NameN-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cc(F)ccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1
InChIInChI=1S/C19H22FN5OS/c20-14-7-8-16-15(12-14)18(21)25(23-16)24(19-22-10-11-27-19)17(26)9-6-13-4-2-1-3-5-13/h7-8,10-13H,1-6,9,21H2
InChIKeyUMRUVVLEZWPCLO-UHFFFAOYSA-N
XLogP4.37
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (CID 66989748) is N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is Nc1c2cc(F)ccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1.
What is the InChIKey of N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is UMRUVVLEZWPCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c20-14-7-8-16-15(12-14)18(21)25(23-16)24(19-22-10-11-27-19)17(26)9-6-13-4-2-1-3-5-13/h7-8,10-13H,1-6,9,21H2.
What are the key properties of N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
N-(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 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-fluoroindazol-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 66989748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).