1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C16H29N3S — CID 78975086

IUPAC1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cnc(C(C)(C)C)s2)CCCC1
InChIInChI=1S/C16H29N3S/c1-15(2,3)14-18-11-13(20-14)10-17-12-16(19(4)5)8-6-7-9-16/h11,17H,6-10,12H2,1-5H3
InChIKeyUCRDTAKOXIQMPU-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.40
Rot. Bonds5

About 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 78975086) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID78975086
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cnc(C(C)(C)C)s2)CCCC1
InChIInChI=1S/C16H29N3S/c1-15(2,3)14-18-11-13(20-14)10-17-12-16(19(4)5)8-6-7-9-16/h11,17H,6-10,12H2,1-5H3
InChIKeyUCRDTAKOXIQMPU-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114502
[1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479291
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705070
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 55137613
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62923091
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
5-[(tert-butylamino)methyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 105418273
1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-(dimethylamino)propan-2-ol
CID 111579157
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664449
1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102837189

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 78975086) is 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2cnc(C(C)(C)C)s2)CCCC1.
What is the InChIKey of 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is UCRDTAKOXIQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-15(2,3)14-18-11-13(20-14)10-17-12-16(19(4)5)8-6-7-9-16/h11,17H,6-10,12H2,1-5H3.
What are the key properties of 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 78975086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).