N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide

C18H15F2N3OS — CID 60578895

IUPACN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ncc(Cc2ccc(F)cc2F)s1
InChIInChI=1S/C18H15F2N3OS/c19-14-5-4-13(16(20)9-14)8-15-11-22-18(25-15)23-17(24)6-3-12-2-1-7-21-10-12/h1-2,4-5,7,9-11H,3,6,8H2,(H,22,23,24)
InChIKeyOUAQWWVVHJYNHT-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.98
Rot. Bonds6

About N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide

N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide (PubChem CID 60578895) has the molecular formula C18H15F2N3OS and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
PubChem CID60578895
Molecular FormulaC18H15F2N3OS
Molecular Weight359.40 g/mol
Exact Mass359.09
IUPAC NameN-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ncc(Cc2ccc(F)cc2F)s1
InChIInChI=1S/C18H15F2N3OS/c19-14-5-4-13(16(20)9-14)8-15-11-22-18(25-15)23-17(24)6-3-12-2-1-7-21-10-12/h1-2,4-5,7,9-11H,3,6,8H2,(H,22,23,24)
InChIKeyOUAQWWVVHJYNHT-UHFFFAOYSA-N
XLogP3.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 57414113
N-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 24658292
2-(cyanomethylsulfanyl)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51092641
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 39220628
2-[2-[(2-pyridin-3-ylacetyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 134384658
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 51125724
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-4-ylpropanamide
CID 60509519
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119751025
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide (CID 60578895) is N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ncc(Cc2ccc(F)cc2F)s1.
What is the InChIKey of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is OUAQWWVVHJYNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3OS/c19-14-5-4-13(16(20)9-14)8-15-11-22-18(25-15)23-17(24)6-3-12-2-1-7-21-10-12/h1-2,4-5,7,9-11H,3,6,8H2,(H,22,23,24).
What are the key properties of N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide?
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 359.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 60578895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).