3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide

C15H18F2N4OS — CID 134696697

IUPAC3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(F)F)cc1C(=O)Nc1nc2c(s1)CCCCCC2
InChIInChI=1S/C15H18F2N4OS/c1-21-11(8-10(20-21)13(16)17)14(22)19-15-18-9-6-4-2-3-5-7-12(9)23-15/h8,13H,2-7H2,1H3,(H,18,19,22)
InChIKeyPAJGDGZCQSRGFJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.73
Rot. Bonds3

About 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide

3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 134696697) has the molecular formula C15H18F2N4OS and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID134696697
Molecular FormulaC15H18F2N4OS
Molecular Weight340.40 g/mol
Exact Mass340.12
IUPAC Name3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(F)F)cc1C(=O)Nc1nc2c(s1)CCCCCC2
InChIInChI=1S/C15H18F2N4OS/c1-21-11(8-10(20-21)13(16)17)14(22)19-15-18-9-6-4-2-3-5-7-12(9)23-15/h8,13H,2-7H2,1H3,(H,18,19,22)
InChIKeyPAJGDGZCQSRGFJ-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 16952691
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
2,5-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
CID 66128632
3,5-diacetamido-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)benzamide
CID 60572213
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112807865
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587212
9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 17191257
2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyridine-4-carboxamide
CID 103763527
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 113250817

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide (CID 134696697) is 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide is Cn1nc(C(F)F)cc1C(=O)Nc1nc2c(s1)CCCCCC2.
What is the InChIKey of 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is PAJGDGZCQSRGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4OS/c1-21-11(8-10(20-21)13(16)17)14(22)19-15-18-9-6-4-2-3-5-7-12(9)23-15/h8,13H,2-7H2,1H3,(H,18,19,22).
What are the key properties of 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide?
3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 134696697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).