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

C22H25N3OS — CID 25409868

IUPAC(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C(C)C)cc2)cs1
InChIInChI=1S/C22H25N3OS/c1-14(2)19-7-5-6-8-20(19)25-22(26)15(3)23-18-11-9-17(10-12-18)21-13-27-16(4)24-21/h5-15,23H,1-4H3,(H,25,26)/t15-/m0/s1
InChIKeyTXUDSMFNUMACSX-HNNXBMFYSA-N
MW379.53 g/mol
LogP5.68
Rot. Bonds6

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

(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 25409868) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID25409868
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C(C)C)cc2)cs1
InChIInChI=1S/C22H25N3OS/c1-14(2)19-7-5-6-8-20(19)25-22(26)15(3)23-18-11-9-17(10-12-18)21-13-27-16(4)24-21/h5-15,23H,1-4H3,(H,25,26)/t15-/m0/s1
InChIKeyTXUDSMFNUMACSX-HNNXBMFYSA-N
XLogP5.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.53
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25361158
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25376034
(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
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
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 112799212

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide (CID 25409868) is (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide is Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C(C)C)cc2)cs1.
What is the InChIKey of (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is TXUDSMFNUMACSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-14(2)19-7-5-6-8-20(19)25-22(26)15(3)23-18-11-9-17(10-12-18)21-13-27-16(4)24-21/h5-15,23H,1-4H3,(H,25,26)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide?
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 379.53 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 25409868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).