N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

C17H13F2N3OS — CID 110410192

IUPACN-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)cs1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H13F2N3OS/c18-12-1-2-14(13(19)9-12)21-16(23)3-4-17-22-15(10-24-17)11-5-7-20-8-6-11/h1-2,5-10H,3-4H2,(H,21,23)
InChIKeyBIKAQYDDMWSSPT-UHFFFAOYSA-N
MW345.37 g/mol
LogP4.05
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110410192) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110410192
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC NameN-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)cs1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H13F2N3OS/c18-12-1-2-14(13(19)9-12)21-16(23)3-4-17-22-15(10-24-17)11-5-7-20-8-6-11/h1-2,5-10H,3-4H2,(H,21,23)
InChIKeyBIKAQYDDMWSSPT-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide
CID 56520163
N-(2,6-dimethylphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110649754
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
N-(2,4-difluorophenyl)-3-[3-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 50809828
4-fluoro-2-nitro-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]aniline
CID 154750254
5-[3-(2,4-difluoroanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354363
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
N-(4-acetamidobutyl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110609845
N-(pyridin-3-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648283
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110415644

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 110410192) is N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is O=C(CCc1nc(-c2ccncc2)cs1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BIKAQYDDMWSSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c18-12-1-2-14(13(19)9-12)21-16(23)3-4-17-22-15(10-24-17)11-5-7-20-8-6-11/h1-2,5-10H,3-4H2,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 345.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110410192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).