N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide

C13H21N3OS — CID 79389199

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H21N3OS/c1-8-9(5-6-14-8)11(17)16-12-15-10(7-18-12)13(2,3)4/h7-9,14H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyARSNIQJVJHREOW-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.38
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79389199) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79389199
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H21N3OS/c1-8-9(5-6-14-8)11(17)16-12-15-10(7-18-12)13(2,3)4/h7-9,14H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyARSNIQJVJHREOW-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54960004
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
CID 53406202
[(2S)-azetidin-2-yl]-[(4-tert-butyl-1,3-thiazol-2-yl)amino]methanol
CID 135292059
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 3107305
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352481
1-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115441970
N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 110475330
(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941258
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-(4-tert-butyl-1,3-thiazol-2-yl)spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxamide
CID 3270749
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide (CID 79389199) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is ARSNIQJVJHREOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-9(5-6-14-8)11(17)16-12-15-10(7-18-12)13(2,3)4/h7-9,14H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79389199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).