3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C17H14F2N4OS — CID 91788805

IUPAC3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCc1csc(-c2ncccn2)n1
InChIInChI=1S/C17H14F2N4OS/c18-13-4-2-11(8-14(13)19)3-5-15(24)22-9-12-10-25-17(23-12)16-20-6-1-7-21-16/h1-2,4,6-8,10H,3,5,9H2,(H,22,24)
InChIKeyDNPBNDFJRLWFKX-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.13
Rot. Bonds6

About 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 91788805) has the molecular formula C17H14F2N4OS and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID91788805
Molecular FormulaC17H14F2N4OS
Molecular Weight360.39 g/mol
Exact Mass360.09
IUPAC Name3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(F)c(F)c1)NCc1csc(-c2ncccn2)n1
InChIInChI=1S/C17H14F2N4OS/c18-13-4-2-11(8-14(13)19)3-5-15(24)22-9-12-10-25-17(23-12)16-20-6-1-7-21-16/h1-2,4,6-8,10H,3,5,9H2,(H,22,24)
InChIKeyDNPBNDFJRLWFKX-UHFFFAOYSA-N
XLogP3.13
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
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CID 108748929
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
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2-(6-chloro-1H-benzimidazol-2-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 77079153
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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3-(3,4-difluorophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
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3-(2-methylbenzimidazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 131925245
3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 110332946
3-(3,4-difluorophenyl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 111784455
3-(1,3-benzodioxol-5-yl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 91788805) is 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CCc1ccc(F)c(F)c1)NCc1csc(-c2ncccn2)n1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is DNPBNDFJRLWFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4OS/c18-13-4-2-11(8-14(13)19)3-5-15(24)22-9-12-10-25-17(23-12)16-20-6-1-7-21-16/h1-2,4,6-8,10H,3,5,9H2,(H,22,24).
What are the key properties of 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 360.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 91788805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).