2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide

C23H33N3O3S — CID 55608193

IUPAC2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NCC(CC(C)C)N3CCOCC3)s2)cc1
InChIInChI=1S/C23H33N3O3S/c1-5-29-20-8-6-18(7-9-20)23-25-17(4)21(30-23)22(27)24-15-19(14-16(2)3)26-10-12-28-13-11-26/h6-9,16,19H,5,10-15H2,1-4H3,(H,24,27)
InChIKeyDPXKDSWOCURWPP-UHFFFAOYSA-N
MW431.60 g/mol
LogP3.99
Rot. Bonds9

About 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide

2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide (PubChem CID 55608193) has the molecular formula C23H33N3O3S and a molecular weight of 431.60 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide
PubChem CID55608193
Molecular FormulaC23H33N3O3S
Molecular Weight431.60 g/mol
Exact Mass431.22
IUPAC Name2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NCC(CC(C)C)N3CCOCC3)s2)cc1
InChIInChI=1S/C23H33N3O3S/c1-5-29-20-8-6-18(7-9-20)23-25-17(4)21(30-23)22(27)24-15-19(14-16(2)3)26-10-12-28-13-11-26/h6-9,16,19H,5,10-15H2,1-4H3,(H,24,27)
InChIKeyDPXKDSWOCURWPP-UHFFFAOYSA-N
XLogP3.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119997436
4-ethoxy-N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55520878
2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119445035
2-ethoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027029
2-(4-ethoxyphenyl)-N-(4-methyl-2-pyrrolidin-1-ylpentyl)acetamide
CID 110403492
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
4-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55818753
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24544192
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide (CID 55608193) is 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide is CCOc1ccc(-c2nc(C)c(C(=O)NCC(CC(C)C)N3CCOCC3)s2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DPXKDSWOCURWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3S/c1-5-29-20-8-6-18(7-9-20)23-25-17(4)21(30-23)22(27)24-15-19(14-16(2)3)26-10-12-28-13-11-26/h6-9,16,19H,5,10-15H2,1-4H3,(H,24,27).
What are the key properties of 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide?
2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide has a molecular weight of 431.60 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55608193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).