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

C19H26N4O2S — CID 47521918

IUPAC2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN(C)CC(=O)NC(C)C)cs1
InChIInChI=1S/C19H26N4O2S/c1-13(2)20-18(25)11-22(5)10-16-12-26-19(21-16)23(15(4)24)17-8-6-14(3)7-9-17/h6-9,12-13H,10-11H2,1-5H3,(H,20,25)
InChIKeyQDOSHCAMXSSMRI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.09
Rot. Bonds7

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

2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 47521918) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID47521918
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CN(C)CC(=O)NC(C)C)cs1
InChIInChI=1S/C19H26N4O2S/c1-13(2)20-18(25)11-22(5)10-16-12-26-19(21-16)23(15(4)24)17-8-6-14(3)7-9-17/h6-9,12-13H,10-11H2,1-5H3,(H,20,25)
InChIKeyQDOSHCAMXSSMRI-UHFFFAOYSA-N
XLogP3.09
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-phenylacetamide
CID 47524069
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462
N-[4-[(N-methyl-2-phenoxyanilino)methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 56549269
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 47524086
2-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174271
2-[[2-(N-acetyl-2,4-difluoroanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-tert-butylacetamide
CID 8767682
N-tert-butyl-2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetamide
CID 8767147
N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 119041182
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
N-(2,4-dimethylphenyl)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 50984695
2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 9174299
2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 8909777

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide (CID 47521918) is 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide is CC(=O)N(c1ccc(C)cc1)c1nc(CN(C)CC(=O)NC(C)C)cs1.
What is the InChIKey of 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is QDOSHCAMXSSMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13(2)20-18(25)11-22(5)10-16-12-26-19(21-16)23(15(4)24)17-8-6-14(3)7-9-17/h6-9,12-13H,10-11H2,1-5H3,(H,20,25).
What are the key properties of 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide?
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 374.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 47521918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).