N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C19H18F3N3OS — CID 71893614

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)14-7-3-1-6-12(14)17(26)25-18-24-16(10-27-18)13-9-23-15-8-4-2-5-11(13)15/h2,4-5,8-10,12,14,23H,1,3,6-7H2,(H,24,25,26)
InChIKeyQBRDGQHQUNRHRM-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.60
Rot. Bonds3

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 71893614) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID71893614
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C19H18F3N3OS/c20-19(21,22)14-7-3-1-6-12(14)17(26)25-18-24-16(10-27-18)13-9-23-15-8-4-2-5-11(13)15/h2,4-5,8-10,12,14,23H,1,3,6-7H2,(H,24,25,26)
InChIKeyQBRDGQHQUNRHRM-UHFFFAOYSA-N
XLogP5.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
cis-(1R,2S)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-nitrocyclopropane-1-carboxamide
CID 94134950
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46820043
4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine
CID 171983956
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55467708
ethyl 4-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylate
CID 60529056
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 41188721
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46969064

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 71893614) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is QBRDGQHQUNRHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c20-19(21,22)14-7-3-1-6-12(14)17(26)25-18-24-16(10-27-18)13-9-23-15-8-4-2-5-11(13)15/h2,4-5,8-10,12,14,23H,1,3,6-7H2,(H,24,25,26).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 71893614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).