2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide

C18H25N3OS — CID 9174299

IUPAC2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(-c2csc(CN(C)CC(=O)NC(C)C)n2)c1
InChIInChI=1S/C18H25N3OS/c1-12(2)19-17(22)9-21(5)10-18-20-16(11-23-18)15-8-13(3)6-7-14(15)4/h6-8,11-12H,9-10H2,1-5H3,(H,19,22)
InChIKeyIQZCWDFUOQHDFV-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.38
Rot. Bonds6

About 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide

2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 9174299) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID9174299
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(C)c(-c2csc(CN(C)CC(=O)NC(C)C)n2)c1
InChIInChI=1S/C18H25N3OS/c1-12(2)19-17(22)9-21(5)10-18-20-16(11-23-18)15-8-13(3)6-7-14(15)4/h6-8,11-12H,9-10H2,1-5H3,(H,19,22)
InChIKeyIQZCWDFUOQHDFV-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174271
2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174381
2-[[4-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174239
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 32951608
2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9233898
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8803248
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 47521918
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9233888
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide (CID 9174299) is 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide is Cc1ccc(C)c(-c2csc(CN(C)CC(=O)NC(C)C)n2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is IQZCWDFUOQHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-12(2)19-17(22)9-21(5)10-18-20-16(11-23-18)15-8-13(3)6-7-14(15)4/h6-8,11-12H,9-10H2,1-5H3,(H,19,22).
What are the key properties of 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 331.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9174299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).