2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol

C24H41N3O4S — CID 176952746

IUPAC2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol
SMILESCC.CO.Cc1ccc(-c2cncs2)cc1.O=C(O)NCCC1CCC1.OC1CCNC1
InChIInChI=1S/C10H9NS.C7H13NO2.C4H9NO.C2H6.CH4O/c1-8-2-4-9(5-3-8)10-6-11-7-12-10;9-7(10)8-5-4-6-2-1-3-6;6-4-1-2-5-3-4;2*1-2/h2-7H,1H3;6,8H,1-5H2,(H,9,10);4-6H,1-3H2;1-2H3;2H,1H3
InChIKeyHRKVNLYPCCXNGL-UHFFFAOYSA-N
MW467.68 g/mol
LogP4.54
Rot. Bonds4

About 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol

2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol (PubChem CID 176952746) has the molecular formula C24H41N3O4S and a molecular weight of 467.68 g/mol. Its IUPAC name is 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol.

Molecular Properties

Compound Name2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol
PubChem CID176952746
Molecular FormulaC24H41N3O4S
Molecular Weight467.68 g/mol
Exact Mass467.28
IUPAC Name2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol
SMILESCC.CO.Cc1ccc(-c2cncs2)cc1.O=C(O)NCCC1CCC1.OC1CCNC1
InChIInChI=1S/C10H9NS.C7H13NO2.C4H9NO.C2H6.CH4O/c1-8-2-4-9(5-3-8)10-6-11-7-12-10;9-7(10)8-5-4-6-2-1-3-6;6-4-1-2-5-3-4;2*1-2/h2-7H,1H3;6,8H,1-5H2,(H,9,10);4-6H,1-3H2;1-2H3;2H,1H3
InChIKeyHRKVNLYPCCXNGL-UHFFFAOYSA-N
XLogP4.54
TPSA114.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.68
LogP ≤ 54.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;ethylcarbamic acid;1-methyl-4-phenylbenzene;pyrrolidine;pyrrolidin-3-ol
CID 176952475
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
1-cyclobutyl-N-methylmethanamine;formic acid;1-methoxy-4-methylbenzene;pyrrolidin-3-ol
CID 176952176
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
CID 67394506
formic acid;1-methoxy-4-methylbenzene;N-methyl-2-pyrrolidin-3-ylethanamine;pyrrolidin-3-ol
CID 176952877
2-(azetidin-2-yl)-N-methylethanamine;ethane;formic acid;5-(4-methylphenyl)-1,3-oxazole;pyrrolidin-3-ol
CID 176953075
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
1-(4-methylphenyl)-3-phenyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119534696
3-tert-butyl-1-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119557851
3-methyl-6-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119555650
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol?
The IUPAC name of 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol (CID 176952746) is 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol.
What is the SMILES notation for 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol?
The canonical SMILES for 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol is CC.CO.Cc1ccc(-c2cncs2)cc1.O=C(O)NCCC1CCC1.OC1CCNC1.
What is the InChIKey of 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol?
The InChIKey is HRKVNLYPCCXNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS.C7H13NO2.C4H9NO.C2H6.CH4O/c1-8-2-4-9(5-3-8)10-6-11-7-12-10;9-7(10)8-5-4-6-2-1-3-6;6-4-1-2-5-3-4;2*1-2/h2-7H,1H3;6,8H,1-5H2,(H,9,10);4-6H,1-3H2;1-2H3;2H,1H3.
What are the key properties of 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol?
2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol has a molecular weight of 467.68 g/mol, XLogP of 4.54, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethylcarbamic acid;ethane;methanol;5-(4-methylphenyl)-1,3-thiazole;pyrrolidin-3-ol is sourced from PubChem (CID 176952746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).