N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C18H17F3N2OS — CID 57325847

IUPACN-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC1CC1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2OS/c19-18(20,21)12-3-1-11(2-4-12)16-14-8-10-25-15(14)7-9-23(16)17(24)22-13-5-6-13/h1-4,8,10,13,16H,5-7,9H2,(H,22,24)
InChIKeyNKTMGVQULVMCBW-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.59
Rot. Bonds2

About N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 57325847) has the molecular formula C18H17F3N2OS and a molecular weight of 366.41 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID57325847
Molecular FormulaC18H17F3N2OS
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NC1CC1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17F3N2OS/c19-18(20,21)12-3-1-11(2-4-12)16-14-8-10-25-15(14)7-9-23(16)17(24)22-13-5-6-13/h1-4,8,10,13,16H,5-7,9H2,(H,22,24)
InChIKeyNKTMGVQULVMCBW-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739405
N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325846
N-(2-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325922
N-(3-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325923
N-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325924
N-(4-fluorophenyl)-7-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 57325926
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
4-[4-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739390
N-((4-fluoro-1-(thien-3-ylmethyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453456
4-cyclopropyl-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325595
2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
N-(2,2-difluoroethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 134798152

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 57325847) is N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NC1CC1)N1CCc2sccc2C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is NKTMGVQULVMCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2OS/c19-18(20,21)12-3-1-11(2-4-12)16-14-8-10-25-15(14)7-9-23(16)17(24)22-13-5-6-13/h1-4,8,10,13,16H,5-7,9H2,(H,22,24).
What are the key properties of N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 57325847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).