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

C14H17N3OS — CID 18134036

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H17N3OS/c1-11-3-5-12(6-4-11)9-17(2)10-13(18)16-14-15-7-8-19-14/h3-8H,9-10H2,1-2H3,(H,15,16,18)
InChIKeyVTVVPZOETGMEDF-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.52
Rot. Bonds5

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

2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 18134036) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID18134036
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2nccs2)cc1
InChIInChI=1S/C14H17N3OS/c1-11-3-5-12(6-4-11)9-17(2)10-13(18)16-14-15-7-8-19-14/h3-8H,9-10H2,1-2H3,(H,15,16,18)
InChIKeyVTVVPZOETGMEDF-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134032
2-[furan-2-ylmethyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134048
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814271
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
2-[(4-hydroxyphenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
CID 86805753
2-(3-methylphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 6468138
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
N-ethyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814252
2-(4-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 669868

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide (CID 18134036) is 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(CN(C)CC(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VTVVPZOETGMEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11-3-5-12(6-4-11)9-17(2)10-13(18)16-14-15-7-8-19-14/h3-8H,9-10H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide?
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18134036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).