N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

C24H31FN4O2S — CID 118279411

IUPACN-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccc(F)cc12)NC(=O)c1cnc(CCN2CCOCC2)s1
InChIInChI=1S/C24H31FN4O2S/c1-2-3-4-19(13-17-15-26-21-6-5-18(25)14-20(17)21)28-24(30)22-16-27-23(32-22)7-8-29-9-11-31-12-10-29/h5-6,14-16,19,26H,2-4,7-13H2,1H3,(H,28,30)
InChIKeySBDLIWCBVHRSAK-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.17
Rot. Bonds10

About N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 118279411) has the molecular formula C24H31FN4O2S and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID118279411
Molecular FormulaC24H31FN4O2S
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC NameN-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCC(Cc1c[nH]c2ccc(F)cc12)NC(=O)c1cnc(CCN2CCOCC2)s1
InChIInChI=1S/C24H31FN4O2S/c1-2-3-4-19(13-17-15-26-21-6-5-18(25)14-20(17)21)28-24(30)22-16-27-23(32-22)7-8-29-9-11-31-12-10-29/h5-6,14-16,19,26H,2-4,7-13H2,1H3,(H,28,30)
InChIKeySBDLIWCBVHRSAK-UHFFFAOYSA-N
XLogP4.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 118279411) is N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is CCCCC(Cc1c[nH]c2ccc(F)cc12)NC(=O)c1cnc(CCN2CCOCC2)s1.
What is the InChIKey of N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SBDLIWCBVHRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2S/c1-2-3-4-19(13-17-15-26-21-6-5-18(25)14-20(17)21)28-24(30)22-16-27-23(32-22)7-8-29-9-11-31-12-10-29/h5-6,14-16,19,26H,2-4,7-13H2,1H3,(H,28,30).
What are the key properties of N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1H-indol-3-yl)hexan-2-yl]-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118279411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).