5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole

C18H21FN4S — CID 71113025

IUPAC5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC(C)c1nn(-c2cnc(C3CCNCC3)s2)c2c(F)cccc12
InChIInChI=1S/C18H21FN4S/c1-11(2)16-13-4-3-5-14(19)17(13)23(22-16)15-10-21-18(24-15)12-6-8-20-9-7-12/h3-5,10-12,20H,6-9H2,1-2H3
InChIKeyCSDHOQXAHIGOSC-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.21
Rot. Bonds3

About 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole

5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 71113025) has the molecular formula C18H21FN4S and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID71113025
Molecular FormulaC18H21FN4S
Molecular Weight344.46 g/mol
Exact Mass344.15
IUPAC Name5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC(C)c1nn(-c2cnc(C3CCNCC3)s2)c2c(F)cccc12
InChIInChI=1S/C18H21FN4S/c1-11(2)16-13-4-3-5-14(19)17(13)23(22-16)15-10-21-18(24-15)12-6-8-20-9-7-12/h3-5,10-12,20H,6-9H2,1-2H3
InChIKeyCSDHOQXAHIGOSC-UHFFFAOYSA-N
XLogP4.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole (CID 71113025) is 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole is CC(C)c1nn(-c2cnc(C3CCNCC3)s2)c2c(F)cccc12.
What is the InChIKey of 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is CSDHOQXAHIGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4S/c1-11(2)16-13-4-3-5-14(19)17(13)23(22-16)15-10-21-18(24-15)12-6-8-20-9-7-12/h3-5,10-12,20H,6-9H2,1-2H3.
What are the key properties of 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole?
5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 344.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-3-propan-2-ylindazol-1-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 71113025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).