N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide

C15H18F3N5OS — CID 136528340

IUPACN-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H18F3N5OS/c1-9(13(24)20-14-19-4-6-25-14)23-5-2-3-10(8-23)11-7-12(22-21-11)15(16,17)18/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,21,22)(H,19,20,24)
InChIKeyCJZKZTIKFMZPKD-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.09
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide

N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide (PubChem CID 136528340) has the molecular formula C15H18F3N5OS and a molecular weight of 373.40 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide
PubChem CID136528340
Molecular FormulaC15H18F3N5OS
Molecular Weight373.40 g/mol
Exact Mass373.12
IUPAC NameN-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H18F3N5OS/c1-9(13(24)20-14-19-4-6-25-14)23-5-2-3-10(8-23)11-7-12(22-21-11)15(16,17)18/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,21,22)(H,19,20,24)
InChIKeyCJZKZTIKFMZPKD-UHFFFAOYSA-N
XLogP3.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 72153907
2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 72153908
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 71926749
N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide
CID 97516823
2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 72153935
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylacetamide
CID 843409
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 50958388
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97004532
N-[5-[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97343916
N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide;2,2,2-trifluoroacetic acid
CID 118743822
3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4765796

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide (CID 136528340) is N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide is CC(C(=O)Nc1nccs1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide?
The InChIKey is CJZKZTIKFMZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5OS/c1-9(13(24)20-14-19-4-6-25-14)23-5-2-3-10(8-23)11-7-12(22-21-11)15(16,17)18/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,21,22)(H,19,20,24).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide?
N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide has a molecular weight of 373.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 136528340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).