N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide

C15H18F3N5OS — CID 121020211

IUPACN-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C15H18F3N5OS/c1-10-13(25-21-19-10)14(24)23(11-4-2-3-5-11)9-8-22-7-6-12(20-22)15(16,17)18/h6-7,11H,2-5,8-9H2,1H3
InChIKeyBDOQBHLADLAZNO-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.15
Rot. Bonds5

About N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide

N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide (PubChem CID 121020211) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
PubChem CID121020211
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC NameN-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C15H18F3N5OS/c1-10-13(25-21-19-10)14(24)23(11-4-2-3-5-11)9-8-22-7-6-12(20-22)15(16,17)18/h6-7,11H,2-5,8-9H2,1H3
InChIKeyBDOQBHLADLAZNO-UHFFFAOYSA-N
XLogP3.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-propyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2,3-thiadiazole-5-carboxamide
CID 71808018
4-methyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,3-thiadiazole-5-carboxamide
CID 71808007
(6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 121170563
4-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]thiadiazole-5-carboxamide
CID 164637939
(3-Methyl-1,2-thiazol-4-yl)-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 121531772
(3-methyl-1,2-thiazol-4-yl)-[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 124615168
(3-methyl-1,2-thiazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 124615169
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
CID 128968496
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-thiazole-4-carboxamide
CID 128971361
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylthiadiazole-5-carboxamide
CID 128971891
1-[(4-ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-2-[2-(1H-pyrazol-1-yl)ethyl]piperidine
CID 56862003
4-ethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]thiadiazole-5-carboxamide
CID 38615925

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide (CID 121020211) is N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
The InChIKey is BDOQBHLADLAZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-10-13(25-21-19-10)14(24)23(11-4-2-3-5-11)9-8-22-7-6-12(20-22)15(16,17)18/h6-7,11H,2-5,8-9H2,1H3.
What are the key properties of N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide?
N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 121020211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).