2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

C14H17N3OS — CID 55096711

IUPAC2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H17N3OS/c1-9(15-3)14(18)17-12-6-4-11(5-7-12)13-8-19-10(2)16-13/h4-9,15H,1-3H3,(H,17,18)
InChIKeyPOTGGEMCHFNOJA-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.66
Rot. Bonds4

About 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide

2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 55096711) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID55096711
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C14H17N3OS/c1-9(15-3)14(18)17-12-6-4-11(5-7-12)13-8-19-10(2)16-13/h4-9,15H,1-3H3,(H,17,18)
InChIKeyPOTGGEMCHFNOJA-UHFFFAOYSA-N
XLogP2.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.66
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
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanediamide
CID 61273443
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)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-phenylbutanamide
CID 7366669

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 55096711) is 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is CNC(C)C(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is POTGGEMCHFNOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(15-3)14(18)17-12-6-4-11(5-7-12)13-8-19-10(2)16-13/h4-9,15H,1-3H3,(H,17,18).
What are the key properties of 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide?
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 55096711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).