N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine

C15H26N2OS — CID 102929515

IUPACN-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
SMILESCCOC(CC)(CC)c1nc(CCNC2CC2)cs1
InChIInChI=1S/C15H26N2OS/c1-4-15(5-2,18-6-3)14-17-13(11-19-14)9-10-16-12-7-8-12/h11-12,16H,4-10H2,1-3H3
InChIKeyNFTRHPJCBIMDOA-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.49
Rot. Bonds9

About N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine

N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine (PubChem CID 102929515) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
PubChem CID102929515
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
SMILESCCOC(CC)(CC)c1nc(CCNC2CC2)cs1
InChIInChI=1S/C15H26N2OS/c1-4-15(5-2,18-6-3)14-17-13(11-19-14)9-10-16-12-7-8-12/h11-12,16H,4-10H2,1-3H3
InChIKeyNFTRHPJCBIMDOA-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116774720
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116774396
2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 102929510
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537
N-[2-[2-(1-methoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 114275622
N-[2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine
CID 107925898
N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 114275792
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
CID 116782667
3-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1,3-diamine
CID 106039550
N-[[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116740963

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine (CID 102929515) is N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine is CCOC(CC)(CC)c1nc(CCNC2CC2)cs1.
What is the InChIKey of N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is NFTRHPJCBIMDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-15(5-2,18-6-3)14-17-13(11-19-14)9-10-16-12-7-8-12/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine?
N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 282.45 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 102929515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).