2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide

C18H18F3N5OS — CID 172892664

IUPAC2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2nc3c(C(F)(F)F)cccc3s2)C1
InChIInChI=1S/C18H18F3N5OS/c1-25-13(7-8-22-25)16(27)23-11-4-3-9-26(10-11)17-24-15-12(18(19,20)21)5-2-6-14(15)28-17/h2,5-8,11H,3-4,9-10H2,1H3,(H,23,27)
InChIKeyUFPCETYZOUMTMP-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.45
Rot. Bonds3

About 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide

2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 172892664) has the molecular formula C18H18F3N5OS and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID172892664
Molecular FormulaC18H18F3N5OS
Molecular Weight409.44 g/mol
Exact Mass409.12
IUPAC Name2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2nc3c(C(F)(F)F)cccc3s2)C1
InChIInChI=1S/C18H18F3N5OS/c1-25-13(7-8-22-25)16(27)23-11-4-3-9-26(10-11)17-24-15-12(18(19,20)21)5-2-6-14(15)28-17/h2,5-8,11H,3-4,9-10H2,1H3,(H,23,27)
InChIKeyUFPCETYZOUMTMP-UHFFFAOYSA-N
XLogP3.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892678
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
N-cyclopentyl-1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]azetidine-3-carboxamide
CID 71786153
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
N-[1-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892155
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891341
5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891424
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 45197201
N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171328526
1,1,3-trimethyl-3-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-4-yl]urea
CID 166603782

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide (CID 172892664) is 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCCN(c2nc3c(C(F)(F)F)cccc3s2)C1.
What is the InChIKey of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is UFPCETYZOUMTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5OS/c1-25-13(7-8-22-25)16(27)23-11-4-3-9-26(10-11)17-24-15-12(18(19,20)21)5-2-6-14(15)28-17/h2,5-8,11H,3-4,9-10H2,1H3,(H,23,27).
What are the key properties of 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172892664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).