5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide

C30H41F3N6O2S — CID 167152658

IUPAC5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1nnsc1NC(=O)C1CC(C(F)(F)F)CN(C2CCCCCCCCC2)C1
InChIInChI=1S/C30H41F3N6O2S/c31-30(32,33)22-17-21(19-39(20-22)24-12-6-4-2-1-3-5-7-13-24)27(40)35-29-26(36-37-42-29)28(41)34-23-11-10-14-25(18-23)38-15-8-9-16-38/h10-11,14,18,21-22,24H,1-9,12-13,15-17,19-20H2,(H,34,41)(H,35,40)
InChIKeyVOTYBSWEKILTAG-UHFFFAOYSA-N
MW606.76 g/mol
LogP6.72
Rot. Bonds6

About 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide

5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide (PubChem CID 167152658) has the molecular formula C30H41F3N6O2S and a molecular weight of 606.76 g/mol. Its IUPAC name is 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide
PubChem CID167152658
Molecular FormulaC30H41F3N6O2S
Molecular Weight606.76 g/mol
Exact Mass606.30
IUPAC Name5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1nnsc1NC(=O)C1CC(C(F)(F)F)CN(C2CCCCCCCCC2)C1
InChIInChI=1S/C30H41F3N6O2S/c31-30(32,33)22-17-21(19-39(20-22)24-12-6-4-2-1-3-5-7-13-24)27(40)35-29-26(36-37-42-29)28(41)34-23-11-10-14-25(18-23)38-15-8-9-16-38/h10-11,14,18,21-22,24H,1-9,12-13,15-17,19-20H2,(H,34,41)(H,35,40)
InChIKeyVOTYBSWEKILTAG-UHFFFAOYSA-N
XLogP6.72
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.76
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811168
N-(4-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811151
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
2,2,3,3-tetrafluoro-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 2992974
4-amino-N-(3-pyrrolidin-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688150
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
(3S)-1-(2-fluoro-6-methylbenzoyl)-N-(3-piperidin-1-ylphenyl)piperidine-3-carboxamide
CID 129074399
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
3-cyclobutyl-N-(3-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 167926953

Frequently Asked Questions

What is the IUPAC name of 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide (CID 167152658) is 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide is O=C(Nc1cccc(N2CCCC2)c1)c1nnsc1NC(=O)C1CC(C(F)(F)F)CN(C2CCCCCCCCC2)C1.
What is the InChIKey of 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide?
The InChIKey is VOTYBSWEKILTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F3N6O2S/c31-30(32,33)22-17-21(19-39(20-22)24-12-6-4-2-1-3-5-7-13-24)27(40)35-29-26(36-37-42-29)28(41)34-23-11-10-14-25(18-23)38-15-8-9-16-38/h10-11,14,18,21-22,24H,1-9,12-13,15-17,19-20H2,(H,34,41)(H,35,40).
What are the key properties of 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide?
5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide has a molecular weight of 606.76 g/mol, XLogP of 6.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 167152658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).