2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide

C20H29N3OS — CID 55411702

IUPAC2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H29N3OS/c1-6-23(12-19(24)21-15(4)5)11-18-13-25-20(22-18)17-9-7-16(8-10-17)14(2)3/h7-10,13-15H,6,11-12H2,1-5H3,(H,21,24)
InChIKeyHOOYUPSNJUDEEY-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.28
Rot. Bonds8

About 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide (PubChem CID 55411702) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
PubChem CID55411702
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H29N3OS/c1-6-23(12-19(24)21-15(4)5)11-18-13-25-20(22-18)17-9-7-16(8-10-17)14(2)3/h7-10,13-15H,6,11-12H2,1-5H3,(H,21,24)
InChIKeyHOOYUPSNJUDEEY-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55554572
2-[methyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]acetic acid
CID 119905952
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 18189786
N-ethyl-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 8683972
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462
2-[cyclopropyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 122100526
N-tert-butyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-ethylamino]acetamide
CID 8795767
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
N-(4-acetamidophenyl)-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 26583201
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetate
CID 7804977
2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 79255705

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide (CID 55411702) is 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1csc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is HOOYUPSNJUDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-6-23(12-19(24)21-15(4)5)11-18-13-25-20(22-18)17-9-7-16(8-10-17)14(2)3/h7-10,13-15H,6,11-12H2,1-5H3,(H,21,24).
What are the key properties of 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 359.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55411702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).