5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

C12H19N3OS — CID 82754021

IUPAC5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCN(c1ncc(CNC2CC2)s1)C1CCOC1
InChIInChI=1S/C12H19N3OS/c1-15(10-4-5-16-8-10)12-14-7-11(17-12)6-13-9-2-3-9/h7,9-10,13H,2-6,8H2,1H3
InChIKeyQPEONCAEVIGAEE-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.62
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 82754021) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID82754021
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCN(c1ncc(CNC2CC2)s1)C1CCOC1
InChIInChI=1S/C12H19N3OS/c1-15(10-4-5-16-8-10)12-14-7-11(17-12)6-13-9-2-3-9/h7,9-10,13H,2-6,8H2,1H3
InChIKeyQPEONCAEVIGAEE-UHFFFAOYSA-N
XLogP1.62
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753672
N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62754267
[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62752479
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 114926939
5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754199
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62749687
5-[(cyclopropylamino)methyl]-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62749892
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753295
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62769039
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82745858

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 82754021) is 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is CN(c1ncc(CNC2CC2)s1)C1CCOC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is QPEONCAEVIGAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15(10-4-5-16-8-10)12-14-7-11(17-12)6-13-9-2-3-9/h7,9-10,13H,2-6,8H2,1H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 253.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82754021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).