N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine

C15H29N3S — CID 79395694

IUPACN-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)CNCc1sc(N(C)C(C)C)nc1C(C)C
InChIInChI=1S/C15H29N3S/c1-10(2)8-16-9-13-14(11(3)4)17-15(19-13)18(7)12(5)6/h10-12,16H,8-9H2,1-7H3
InChIKeyUENBJUYLSZZOBT-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.86
Rot. Bonds7

About N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine

N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine (PubChem CID 79395694) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
PubChem CID79395694
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC NameN-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
SMILESCC(C)CNCc1sc(N(C)C(C)C)nc1C(C)C
InChIInChI=1S/C15H29N3S/c1-10(2)8-16-9-13-14(11(3)4)17-15(19-13)18(7)12(5)6/h10-12,16H,8-9H2,1-7H3
InChIKeyUENBJUYLSZZOBT-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
N-(1-methoxypropan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382218
N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395047
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 115987930
[2-[methyl(propan-2-yl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393490
5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392937
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
N-methyl-5-(methylaminomethyl)-N-pentan-2-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395621
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369
5-[(2-methoxyethylamino)methyl]-N-(1-methoxypropan-2-yl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382219
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
N-methyl-5-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylpropan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 115987996

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine (CID 79395694) is N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine is CC(C)CNCc1sc(N(C)C(C)C)nc1C(C)C.
What is the InChIKey of N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is UENBJUYLSZZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-10(2)8-16-9-13-14(11(3)4)17-15(19-13)18(7)12(5)6/h10-12,16H,8-9H2,1-7H3.
What are the key properties of N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 283.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79395694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).