5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

C15H27N3O2S — CID 107510654

IUPAC5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)C2CCOC2)sc1CNC(C)(C)C
InChIInChI=1S/C15H27N3O2S/c1-15(2,3)16-8-13-12(10-19-5)17-14(21-13)18(4)11-6-7-20-9-11/h11,16H,6-10H2,1-5H3
InChIKeyBEFWUPFXNSVRKE-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.40
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 107510654) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID107510654
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)C2CCOC2)sc1CNC(C)(C)C
InChIInChI=1S/C15H27N3O2S/c1-15(2,3)16-8-13-12(10-19-5)17-14(21-13)18(4)11-6-7-20-9-11/h11,16H,6-10H2,1-5H3
InChIKeyBEFWUPFXNSVRKE-UHFFFAOYSA-N
XLogP2.40
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 107509875
5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753672
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114366837
5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754917
4-(methoxymethyl)-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509509
4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82735074
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 107509753
6-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 82754331
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 107509734
5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753856

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 107510654) is 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is COCc1nc(N(C)C2CCOC2)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BEFWUPFXNSVRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-15(2,3)16-8-13-12(10-19-5)17-14(21-13)18(4)11-6-7-20-9-11/h11,16H,6-10H2,1-5H3.
What are the key properties of 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 313.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107510654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).