(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide

C19H17F2N3OS — CID 25376034

IUPAC(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
SMILESCc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3c(F)cccc3F)cc2)cs1
InChIInChI=1S/C19H17F2N3OS/c1-11(19(25)24-18-15(20)4-3-5-16(18)21)22-14-8-6-13(7-9-14)17-10-26-12(2)23-17/h3-11,22H,1-2H3,(H,24,25)/t11-/m0/s1
InChIKeyWITXAQMETFFVBR-NSHDSACASA-N
MW373.43 g/mol
LogP4.84
Rot. Bonds5

About (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide

(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide (PubChem CID 25376034) has the molecular formula C19H17F2N3OS and a molecular weight of 373.43 g/mol. Its IUPAC name is (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
PubChem CID25376034
Molecular FormulaC19H17F2N3OS
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
SMILESCc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3c(F)cccc3F)cc2)cs1
InChIInChI=1S/C19H17F2N3OS/c1-11(19(25)24-18-15(20)4-3-5-16(18)21)22-14-8-6-13(7-9-14)17-10-26-12(2)23-17/h3-11,22H,1-2H3,(H,24,25)/t11-/m0/s1
InChIKeyWITXAQMETFFVBR-NSHDSACASA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
(2R)-N-(2,4-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360630
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 47018344
N-(3-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 24561871
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 25409868
(2R)-N-(2-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25361158
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360251
(2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360250
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
N-(1,3-benzodioxol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 51248672
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide (CID 25376034) is (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide.
What is the SMILES notation for (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The canonical SMILES for (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide is Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3c(F)cccc3F)cc2)cs1.
What is the InChIKey of (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The InChIKey is WITXAQMETFFVBR-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F2N3OS/c1-11(19(25)24-18-15(20)4-3-5-16(18)21)22-14-8-6-13(7-9-14)17-10-26-12(2)23-17/h3-11,22H,1-2H3,(H,24,25)/t11-/m0/s1.
What are the key properties of (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide has a molecular weight of 373.43 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide is sourced from PubChem (CID 25376034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).