N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C17H15FN4OS — CID 11522988

IUPACN-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCc3ccc(F)cc3)s2)n1
InChIInChI=1S/C17H15FN4OS/c1-19-17-20-9-8-13(22-17)14-6-7-15(24-14)16(23)21-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeySFSMICBLCBGDLK-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.32
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 11522988) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID11522988
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)NCc3ccc(F)cc3)s2)n1
InChIInChI=1S/C17H15FN4OS/c1-19-17-20-9-8-13(22-17)14-6-7-15(24-14)16(23)21-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeySFSMICBLCBGDLK-UHFFFAOYSA-N
XLogP3.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CID 16660135
N-((1S)-2-Amino-1-(2,4-dichlorobenzyl)ethyl)-5-(2-(methylamino)pyrimidin-4-YL)thiophene-2-carboxamide
CID 16043304
(4-(4-(Benzo(b)thiophen-2-yl)pyrimidin-2-ylamino)phenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CID 9549298
US11685744, Example 56
CID 164709790
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
Pyrimidine-4-carboxamide, 59
CID 44520943
Pyrimidine-4-carboxamide, 61
CID 44520944
Pyrimidine-4-carboxamide, 60
CID 44520957
Pyrimidine-4-carboxamide, 62
CID 44520958

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 11522988) is N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)NCc3ccc(F)cc3)s2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is SFSMICBLCBGDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-19-17-20-9-8-13(22-17)14-6-7-15(24-14)16(23)21-10-11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11522988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).