N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide

C15H15F2N3OS — CID 138026778

IUPACN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide
SMILESCc1ccnc(C(NC(=O)c2ccsc2C(F)F)C2CC2)n1
InChIInChI=1S/C15H15F2N3OS/c1-8-4-6-18-14(19-8)11(9-2-3-9)20-15(21)10-5-7-22-12(10)13(16)17/h4-7,9,11,13H,2-3H2,1H3,(H,20,21)
InChIKeyFRLGLBGCQIBJID-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.67
Rot. Bonds5

About N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide

N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide (PubChem CID 138026778) has the molecular formula C15H15F2N3OS and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide
PubChem CID138026778
Molecular FormulaC15H15F2N3OS
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide
SMILESCc1ccnc(C(NC(=O)c2ccsc2C(F)F)C2CC2)n1
InChIInChI=1S/C15H15F2N3OS/c1-8-4-6-18-14(19-8)11(9-2-3-9)20-15(21)10-5-7-22-12(10)13(16)17/h4-7,9,11,13H,2-3H2,1H3,(H,20,21)
InChIKeyFRLGLBGCQIBJID-UHFFFAOYSA-N
XLogP3.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide (CID 138026778) is N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide is Cc1ccnc(C(NC(=O)c2ccsc2C(F)F)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide?
The InChIKey is FRLGLBGCQIBJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3OS/c1-8-4-6-18-14(19-8)11(9-2-3-9)20-15(21)10-5-7-22-12(10)13(16)17/h4-7,9,11,13H,2-3H2,1H3,(H,20,21).
What are the key properties of N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide?
N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-2-(difluoromethyl)thiophene-3-carboxamide is sourced from PubChem (CID 138026778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).