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

C18H24N4O2S — CID 9174271

IUPAC2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(=O)Nc1ccc(-c2csc(CN(C)CC(=O)NC(C)C)n2)cc1
InChIInChI=1S/C18H24N4O2S/c1-12(2)19-17(24)9-22(4)10-18-21-16(11-25-18)14-5-7-15(8-6-14)20-13(3)23/h5-8,11-12H,9-10H2,1-4H3,(H,19,24)(H,20,23)
InChIKeyQYWJCNKPDNZGMF-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.72
Rot. Bonds7

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

2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 9174271) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID9174271
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(=O)Nc1ccc(-c2csc(CN(C)CC(=O)NC(C)C)n2)cc1
InChIInChI=1S/C18H24N4O2S/c1-12(2)19-17(24)9-22(4)10-18-21-16(11-25-18)14-5-7-15(8-6-14)20-13(3)23/h5-8,11-12H,9-10H2,1-4H3,(H,19,24)(H,20,23)
InChIKeyQYWJCNKPDNZGMF-UHFFFAOYSA-N
XLogP2.72
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174381
2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174299
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-[(dimethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351824
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
2-[(5-amino-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 80607447
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide (CID 9174271) is 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide is CC(=O)Nc1ccc(-c2csc(CN(C)CC(=O)NC(C)C)n2)cc1.
What is the InChIKey of 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is QYWJCNKPDNZGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12(2)19-17(24)9-22(4)10-18-21-16(11-25-18)14-5-7-15(8-6-14)20-13(3)23/h5-8,11-12H,9-10H2,1-4H3,(H,19,24)(H,20,23).
What are the key properties of 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9174271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).