4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C14H27N3OS — CID 55117420

IUPAC4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)C(C)COC)nc1C(C)(C)C
InChIInChI=1S/C14H27N3OS/c1-10(9-18-7)17(6)13-16-12(14(2,3)4)11(19-13)8-15-5/h10,15H,8-9H2,1-7H3
InChIKeyGBOAVZZIUBPIFW-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.63
Rot. Bonds6

About 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 55117420) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID55117420
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(C)C(C)COC)nc1C(C)(C)C
InChIInChI=1S/C14H27N3OS/c1-10(9-18-7)17(6)13-16-12(14(2,3)4)11(19-13)8-15-5/h10,15H,8-9H2,1-7H3
InChIKeyGBOAVZZIUBPIFW-UHFFFAOYSA-N
XLogP2.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-N-ethyl-N-(2-methoxyethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143994940
5-[(2-methoxyethylamino)methyl]-N-methyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767143
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767164
5-(aminomethyl)-4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767314
4-tert-butyl-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767335
N,4-diethyl-5-[(2-methoxyethylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767678
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768001
4-tert-butyl-5-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768002
4-tert-butyl-N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768003
5-(aminomethyl)-4-tert-butyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768017
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768020
5-(aminomethyl)-4-tert-butyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768023

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 55117420) is 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CNCc1sc(N(C)C(C)COC)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is GBOAVZZIUBPIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-10(9-18-7)17(6)13-16-12(14(2,3)4)11(19-13)8-15-5/h10,15H,8-9H2,1-7H3.
What are the key properties of 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 285.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55117420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).