N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H24N2OS — CID 116774396

IUPACN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(CC)(CC)c1ncc(CNC2CC2)s1
InChIInChI=1S/C14H24N2OS/c1-4-14(5-2,17-6-3)13-16-10-12(18-13)9-15-11-7-8-11/h10-11,15H,4-9H2,1-3H3
InChIKeyBYFGYFRCVBPPFK-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.45
Rot. Bonds8

About N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 116774396) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID116774396
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCOC(CC)(CC)c1ncc(CNC2CC2)s1
InChIInChI=1S/C14H24N2OS/c1-4-14(5-2,17-6-3)13-16-10-12(18-13)9-15-11-7-8-11/h10-11,15H,4-9H2,1-3H3
InChIKeyBYFGYFRCVBPPFK-UHFFFAOYSA-N
XLogP3.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
2-(3-ethoxypentan-3-yl)-5-methyl-1,3-thiazole
CID 116782789
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 102929515
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116740963
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79184432
(6S)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95328357
N-[[2-(2-ethoxypropan-2-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116730832
N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116502748
N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
CID 63454816
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480
N-[[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62931356

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 116774396) is N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCOC(CC)(CC)c1ncc(CNC2CC2)s1.
What is the InChIKey of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is BYFGYFRCVBPPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-14(5-2,17-6-3)13-16-10-12(18-13)9-15-11-7-8-11/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 268.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116774396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).