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

C15H29N3S — CID 107154854

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN(C)C1(CNC2=NCC(CC(C)(C)C)S2)CCC1
InChIInChI=1S/C15H29N3S/c1-14(2,3)9-12-10-16-13(19-12)17-11-15(18(4)5)7-6-8-15/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyVAIMEQKNNBYXBD-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.97
Rot. Bonds4

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

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154854) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154854
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN(C)C1(CNC2=NCC(CC(C)(C)C)S2)CCC1
InChIInChI=1S/C15H29N3S/c1-14(2,3)9-12-10-16-13(19-12)17-11-15(18(4)5)7-6-8-15/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyVAIMEQKNNBYXBD-UHFFFAOYSA-N
XLogP2.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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)cyclopentyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154671
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105419351
N-[(1-cyclopropylcyclopropyl)methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114096572
5-(2,2-dimethylpropyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154544
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285706
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105419370
N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153761
N-cyclooctyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153785
5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154862
5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154426
5-(2,2-dimethylpropyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154214
3-[2-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]ethyl]-1,1-dimethylurea
CID 107154673

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154854) is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CN(C)C1(CNC2=NCC(CC(C)(C)C)S2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VAIMEQKNNBYXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-14(2,3)9-12-10-16-13(19-12)17-11-15(18(4)5)7-6-8-15/h12H,6-11H2,1-5H3,(H,16,17).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.48 g/mol, XLogP of 2.97, 4 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-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).