(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide

C21H22N4O2S — CID 25407937

IUPAC(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N4O2S/c1-13(21(27)25-19-10-8-18(9-11-19)23-14(2)26)22-17-6-4-16(5-7-17)20-12-28-15(3)24-20/h4-13,22H,1-3H3,(H,23,26)(H,25,27)/t13-/m1/s1
InChIKeyNZDYSDKJTOCJKP-CYBMUJFWSA-N
MW394.50 g/mol
LogP4.52
Rot. Bonds6

About (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide

(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide (PubChem CID 25407937) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
PubChem CID25407937
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1
InChIInChI=1S/C21H22N4O2S/c1-13(21(27)25-19-10-8-18(9-11-19)23-14(2)26)22-17-6-4-16(5-7-17)20-12-28-15(3)24-20/h4-13,22H,1-3H3,(H,23,26)(H,25,27)/t13-/m1/s1
InChIKeyNZDYSDKJTOCJKP-CYBMUJFWSA-N
XLogP4.52
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 47018344
(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
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
(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25376034
N-(1,3-benzodioxol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 51248672
(2R)-N-(2-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25361158
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
(2R)-N-(2,4-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360630
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide (CID 25407937) is (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
The InChIKey is NZDYSDKJTOCJKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13(21(27)25-19-10-8-18(9-11-19)23-14(2)26)22-17-6-4-16(5-7-17)20-12-28-15(3)24-20/h4-13,22H,1-3H3,(H,23,26)(H,25,27)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide?
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide has a molecular weight of 394.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide is sourced from PubChem (CID 25407937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).