N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C15H29N3S — CID 106285706

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC2(N(C)C)CCC2)S1
InChIInChI=1S/C15H29N3S/c1-5-12(6-2)13-10-16-14(19-13)17-11-15(18(3)4)8-7-9-15/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyJFXDZYKHBWNNJU-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.97
Rot. Bonds6

About N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285706) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285706
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC2(N(C)C)CCC2)S1
InChIInChI=1S/C15H29N3S/c1-5-12(6-2)13-10-16-14(19-13)17-11-15(18(3)4)8-7-9-15/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyJFXDZYKHBWNNJU-UHFFFAOYSA-N
XLogP2.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105419351
5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285842
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154854
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105419370
N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 114168349
N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285326
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154671
N,N-dimethyl-3-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 106285105
N-cyclopropyl-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284732
N'-(2-methoxyethyl)-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285221
N-[(4-methylphenyl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284896
5-pentan-3-yl-N-(thiolan-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285741

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285706) is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCC2(N(C)C)CCC2)S1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JFXDZYKHBWNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-5-12(6-2)13-10-16-14(19-13)17-11-15(18(3)4)8-7-9-15/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).