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

C20H27N3OS — CID 110386521

IUPAC4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCN2CCCC2)sc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H27N3OS/c1-14(2)16-6-8-17(9-7-16)22-20(24)19-15(3)21-18(25-19)10-13-23-11-4-5-12-23/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyRFCFSTSNGFSSKI-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.47
Rot. Bonds6

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

4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110386521) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110386521
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CCN2CCCC2)sc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H27N3OS/c1-14(2)16-6-8-17(9-7-16)22-20(24)19-15(3)21-18(25-19)10-13-23-11-4-5-12-23/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,24)
InChIKeyRFCFSTSNGFSSKI-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-propan-2-yloxyphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386535
2-(methoxymethyl)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110374872
4-methyl-N-(3-methylbutyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386501
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143
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-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
N-(2-methoxyethyl)-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386447
4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387166
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
2-benzyl-4-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55906052
N-(3-chlorophenyl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387401

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide (CID 110386521) is 4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide is Cc1nc(CCN2CCCC2)sc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RFCFSTSNGFSSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-14(2)16-6-8-17(9-7-16)22-20(24)19-15(3)21-18(25-19)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-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propan-2-ylphenyl)-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110386521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).