2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide

C14H17N3OS — CID 94284257

IUPAC2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2sc(CN)nc2C)c1
InChIInChI=1S/C14H17N3OS/c1-9-4-3-5-11(6-9)17-13(18)7-12-10(2)16-14(8-15)19-12/h3-6H,7-8,15H2,1-2H3,(H,17,18)
InChIKeyNVZBAQWDJPSWKC-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.40
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide

2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide (PubChem CID 94284257) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
PubChem CID94284257
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2sc(CN)nc2C)c1
InChIInChI=1S/C14H17N3OS/c1-9-4-3-5-11(6-9)17-13(18)7-12-10(2)16-14(8-15)19-12/h3-6H,7-8,15H2,1-2H3,(H,17,18)
InChIKeyNVZBAQWDJPSWKC-UHFFFAOYSA-N
XLogP2.40
TPSA68.01 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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
N-(3-acetylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565256
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 94761086
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)acetamide
CID 110417275
N-(4-anilinophenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565270
N-(2-hydroxy-5-methylphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565253
N-(3-methylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686325
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 82154910
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 84565303
N-(3-methylphenyl)-2-(2,3,4-trifluorophenyl)acetamide
CID 110487504
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
2-[[5-(2-amino-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3-methylphenyl)propanamide
CID 46683483

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide (CID 94284257) is 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2sc(CN)nc2C)c1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is NVZBAQWDJPSWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-4-3-5-11(6-9)17-13(18)7-12-10(2)16-14(8-15)19-12/h3-6H,7-8,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide?
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 94284257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).