4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide

C21H29N3O2S — CID 59337836

IUPAC4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)cc1
InChIInChI=1S/C21H29N3O2S/c1-4-14-26-18-9-7-16(8-10-18)21-23-15(2)19(27-21)20(25)22-12-11-17-6-5-13-24(17)3/h7-10,17H,4-6,11-14H2,1-3H3,(H,22,25)
InChIKeyGLPQWOAZOZKVHX-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.12
Rot. Bonds8

About 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 59337836) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID59337836
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCOc1ccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)cc1
InChIInChI=1S/C21H29N3O2S/c1-4-14-26-18-9-7-16(8-10-18)21-23-15(2)19(27-21)20(25)22-12-11-17-6-5-13-24(17)3/h7-10,17H,4-6,11-14H2,1-3H3,(H,22,25)
InChIKeyGLPQWOAZOZKVHX-UHFFFAOYSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 59338603
2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
2-(4-ethoxyphenyl)-4-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 55723032
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119445035
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
4-methyl-2-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338114
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(2,3,4-trimethoxycyclohex-2-en-1-yl)-1,3-thiazole-5-carboxamide
CID 143281299
[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119648772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide (CID 59337836) is 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide is CCCOc1ccc(-c2nc(C)c(C(=O)NCCC3CCCN3C)s2)cc1.
What is the InChIKey of 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GLPQWOAZOZKVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-4-14-26-18-9-7-16(8-10-18)21-23-15(2)19(27-21)20(25)22-12-11-17-6-5-13-24(17)3/h7-10,17H,4-6,11-14H2,1-3H3,(H,22,25).
What are the key properties of 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59337836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).