N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C15H17F3N4OS2 — CID 130313302

IUPACN-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(CCC1CCSC1)Cc1cncs1
InChIInChI=1S/C15H17F3N4OS2/c16-15(17,18)13-5-12(20-21-13)14(23)22(7-11-6-19-9-25-11)3-1-10-2-4-24-8-10/h5-6,9-10H,1-4,7-8H2,(H,20,21)
InChIKeyKLPMGTRXKSCYEE-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.67
Rot. Bonds6

About N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 130313302) has the molecular formula C15H17F3N4OS2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID130313302
Molecular FormulaC15H17F3N4OS2
Molecular Weight390.46 g/mol
Exact Mass390.08
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(CCC1CCSC1)Cc1cncs1
InChIInChI=1S/C15H17F3N4OS2/c16-15(17,18)13-5-12(20-21-13)14(23)22(7-11-6-19-9-25-11)3-1-10-2-4-24-8-10/h5-6,9-10H,1-4,7-8H2,(H,20,21)
InChIKeyKLPMGTRXKSCYEE-UHFFFAOYSA-N
XLogP3.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-(1,3-thiazol-2-yl)piperidine
CID 45176959
2-[1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-pyrrolidinyl]-1,3-thiazole
CID 45188891
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71875704
5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373898
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97381235
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 45172138
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 118744060
5-cyclopropyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 137997215
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120798
N-[2-[(3R)-1,1-dioxothiolan-3-yl]ethyl]-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 124198934
N-[(1S)-1-(2-bromo-1,3-thiazol-5-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 169262944

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 130313302) is N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(C(F)(F)F)[nH]n1)N(CCC1CCSC1)Cc1cncs1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KLPMGTRXKSCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS2/c16-15(17,18)13-5-12(20-21-13)14(23)22(7-11-6-19-9-25-11)3-1-10-2-4-24-8-10/h5-6,9-10H,1-4,7-8H2,(H,20,21).
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 130313302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).