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

C16H31N3S — CID 79395047

IUPACN-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCCCN(C)c1nc(C(C)C)c(CNCC(C)C)s1
InChIInChI=1S/C16H31N3S/c1-7-8-9-19(6)16-18-15(13(4)5)14(20-16)11-17-10-12(2)3/h12-13,17H,7-11H2,1-6H3
InChIKeyFSIVGYXHDXOXNA-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.25
Rot. Bonds9

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

N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79395047) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79395047
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC NameN-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCCCN(C)c1nc(C(C)C)c(CNCC(C)C)s1
InChIInChI=1S/C16H31N3S/c1-7-8-9-19(6)16-18-15(13(4)5)14(20-16)11-17-10-12(2)3/h12-13,17H,7-11H2,1-6H3
InChIKeyFSIVGYXHDXOXNA-UHFFFAOYSA-N
XLogP4.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 115987930
N-methyl-5-[(2-methylpropylamino)methyl]-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395694
N,N,N'-trimethyl-N'-[4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-yl]propane-1,3-diamine
CID 79381980
N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392570
N-(1-methoxypropan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382218
N-(3-methoxypropyl)-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63009443
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 79382866
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
2-methyl-N-[(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433844
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 79395047) is N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CCCCN(C)c1nc(C(C)C)c(CNCC(C)C)s1.
What is the InChIKey of N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is FSIVGYXHDXOXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-7-8-9-19(6)16-18-15(13(4)5)14(20-16)11-17-10-12(2)3/h12-13,17H,7-11H2,1-6H3.
What are the key properties of N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79395047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).