5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine

C17H33N3S — CID 79382199

IUPAC5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(CC(C)C)c1nc(C(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C17H33N3S/c1-9-20(11-12(2)3)16-19-15(13(4)5)14(21-16)10-18-17(6,7)8/h12-13,18H,9-11H2,1-8H3
InChIKeyOWROZMUXDPLORB-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.64
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79382199) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79382199
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC Name5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCN(CC(C)C)c1nc(C(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C17H33N3S/c1-9-20(11-12(2)3)16-19-15(13(4)5)14(21-16)10-18-17(6,7)8/h12-13,18H,9-11H2,1-8H3
InChIKeyOWROZMUXDPLORB-UHFFFAOYSA-N
XLogP4.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N,4-diethyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766541
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79381144
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 81064680
5-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-4-methyl-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62768729
[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435579
N,4-diethyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62766538
N-[[2-(2-ethoxyethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106815449
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392932
N-methyl-N-(2-methylbutan-2-yl)-4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 79392809
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 107402319
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480752

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 79382199) is 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine is CCN(CC(C)C)c1nc(C(C)C)c(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is OWROZMUXDPLORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-9-20(11-12(2)3)16-19-15(13(4)5)14(21-16)10-18-17(6,7)8/h12-13,18H,9-11H2,1-8H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 311.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79382199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).