2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide

C19H20F3N5O3S — CID 90602564

IUPAC2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C19H20F3N5O3S/c1-25-15(4-5-23-25)17(28)27(7-6-26-8-10-29-11-9-26)18-24-14-3-2-13(12-16(14)31-18)30-19(20,21)22/h2-5,12H,6-11H2,1H3
InChIKeyJDDAPPZTSBMOLH-UHFFFAOYSA-N
MW455.46 g/mol
LogP2.91
Rot. Bonds6

About 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide

2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 90602564) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
PubChem CID90602564
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC Name2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C19H20F3N5O3S/c1-25-15(4-5-23-25)17(28)27(7-6-26-8-10-29-11-9-26)18-24-14-3-2-13(12-16(14)31-18)30-19(20,21)22/h2-5,12H,6-11H2,1H3
InChIKeyJDDAPPZTSBMOLH-UHFFFAOYSA-N
XLogP2.91
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602556
2-methylsulfanyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 90602545
N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]cyclopentanecarboxamide
CID 90602587
N-(2-morpholin-4-ylethyl)-2-pyridin-4-ylsulfanyl-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602586
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 43997556
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622625
3-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622633
2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
CID 29137942
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzamide
CID 43997452
5-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 18583236
2,5-dichloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
CID 29138009
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)furan-3-carboxamide
CID 43998089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide (CID 90602564) is 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)N(CCN1CCOCC1)c1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is JDDAPPZTSBMOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c1-25-15(4-5-23-25)17(28)27(7-6-26-8-10-29-11-9-26)18-24-14-3-2-13(12-16(14)31-18)30-19(20,21)22/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide?
2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 455.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 90602564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).