N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

C14H22N2S — CID 43204195

IUPACN-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C2CC2)C2CC2)c(C)s1
InChIInChI=1S/C14H22N2S/c1-8(13-9(2)17-10(3)16-13)15-14(11-4-5-11)12-6-7-12/h8,11-12,14-15H,4-7H2,1-3H3
InChIKeyHJHNOYZHHXSRJA-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.60
Rot. Bonds5

About N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 43204195) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
PubChem CID43204195
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C2CC2)C2CC2)c(C)s1
InChIInChI=1S/C14H22N2S/c1-8(13-9(2)17-10(3)16-13)15-14(11-4-5-11)12-6-7-12/h8,11-12,14-15H,4-7H2,1-3H3
InChIKeyHJHNOYZHHXSRJA-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81390319
2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
CID 65059809
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
(2S)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-3-methylbutan-1-ol
CID 79254185
N'-cyclopentyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-methylethane-1,2-diamine
CID 63315017
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115753105
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79862030
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115753114
(1R)-1-(4-chlorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81352886
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 43535437

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (CID 43204195) is N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NC(C2CC2)C2CC2)c(C)s1.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is HJHNOYZHHXSRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-8(13-9(2)17-10(3)16-13)15-14(11-4-5-11)12-6-7-12/h8,11-12,14-15H,4-7H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 43204195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).