1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

C16H30N2OS — CID 116720237

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1nc(C(C)(C)C)cs1)C(OC)C(C)C
InChIInChI=1S/C16H30N2OS/c1-8-17-12(15(19-7)11(2)3)9-14-18-13(10-20-14)16(4,5)6/h10-12,15,17H,8-9H2,1-7H3
InChIKeyINEUYFBGMBHGHE-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.63
Rot. Bonds7

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (PubChem CID 116720237) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
PubChem CID116720237
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1nc(C(C)(C)C)cs1)C(OC)C(C)C
InChIInChI=1S/C16H30N2OS/c1-8-17-12(15(19-7)11(2)3)9-14-18-13(10-20-14)16(4,5)6/h10-12,15,17H,8-9H2,1-7H3
InChIKeyINEUYFBGMBHGHE-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-ethyl-3-methoxy-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116720302
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715970
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954263
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105015897
N-ethyl-3,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019512
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105016097
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
CID 116752722
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxybutan-2-one
CID 79819953
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine (CID 116720237) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine is CCNC(Cc1nc(C(C)(C)C)cs1)C(OC)C(C)C.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
The InChIKey is INEUYFBGMBHGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-8-17-12(15(19-7)11(2)3)9-14-18-13(10-20-14)16(4,5)6/h10-12,15,17H,8-9H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine has a molecular weight of 298.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 116720237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).