5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine

C14H23N3OS — CID 62769039

IUPAC5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCOCC2)sc1CNC1CC1
InChIInChI=1S/C14H23N3OS/c1-10-13(9-15-11-3-4-11)19-14(16-10)17(2)12-5-7-18-8-6-12/h11-12,15H,3-9H2,1-2H3
InChIKeyXWALDENFEYOLSX-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.32
Rot. Bonds5

About 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 62769039) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
PubChem CID62769039
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCOCC2)sc1CNC1CC1
InChIInChI=1S/C14H23N3OS/c1-10-13(9-15-11-3-4-11)19-14(16-10)17(2)12-5-7-18-8-6-12/h11-12,15H,3-9H2,1-2H3
InChIKeyXWALDENFEYOLSX-UHFFFAOYSA-N
XLogP2.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65334244
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 55117655
5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753856
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-methyl-N-propyl-1,3-thiazol-2-amine
CID 62769172
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81067668
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63865285
4-chloro-5-(chloromethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 80687484
[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780671
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine (CID 62769039) is 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCOCC2)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is XWALDENFEYOLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-13(9-15-11-3-4-11)19-14(16-10)17(2)12-5-7-18-8-6-12/h11-12,15H,3-9H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 281.42 g/mol, XLogP of 2.32, 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,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62769039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).