4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide

C20H27N3O2S — CID 110386535

IUPAC4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCN2CCCC2)sc1C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H27N3O2S/c1-14(2)25-17-8-6-16(7-9-17)22-20(24)19-15(3)21-18(26-19)10-13-23-11-4-5-12-23/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyXZDWICIGVOUZLI-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.13
Rot. Bonds7

About 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110386535) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110386535
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCN2CCCC2)sc1C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C20H27N3O2S/c1-14(2)25-17-8-6-16(7-9-17)22-20(24)19-15(3)21-18(26-19)10-13-23-11-4-5-12-23/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyXZDWICIGVOUZLI-UHFFFAOYSA-N
XLogP4.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386521
4-methyl-N-(3-methylbutyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386501
N-tert-butyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386499
N-(4-ethylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387139
N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386447
N-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
2-(methoxymethyl)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110374872
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387166
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389468
4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 51122639
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55762515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 110386535) is 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CCN2CCCC2)sc1C(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XZDWICIGVOUZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14(2)25-17-8-6-16(7-9-17)22-20(24)19-15(3)21-18(26-19)10-13-23-11-4-5-12-23/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,24).
What are the key properties of 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110386535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).