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

C13H23N3OS — CID 82753672

IUPAC5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCN(c1ncc(CNC(C)(C)C)s1)C1CCOC1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)15-8-11-7-14-12(18-11)16(4)10-5-6-17-9-10/h7,10,15H,5-6,8-9H2,1-4H3
InChIKeyOALXLCARIJZIRM-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.26
Rot. Bonds4

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

5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 82753672) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID82753672
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCN(c1ncc(CNC(C)(C)C)s1)C1CCOC1
InChIInChI=1S/C13H23N3OS/c1-13(2,3)15-8-11-7-14-12(18-11)16(4)10-5-6-17-9-10/h7,10,15H,5-6,8-9H2,1-4H3
InChIKeyOALXLCARIJZIRM-UHFFFAOYSA-N
XLogP2.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754021
5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754199
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 107510654
[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62752479
6-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyrazin-2-amine
CID 82754698
3-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-4-amine
CID 82754061
5-[(tert-butylamino)methyl]-N-(1-cyclopropylethyl)-N-methyl-1,3-thiazol-2-amine
CID 55112108
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 105418273
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 82754331
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62752148

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 82753672) is 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is CN(c1ncc(CNC(C)(C)C)s1)C1CCOC1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is OALXLCARIJZIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-13(2,3)15-8-11-7-14-12(18-11)16(4)10-5-6-17-9-10/h7,10,15H,5-6,8-9H2,1-4H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82753672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).