N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine

C12H22N2OS — CID 115716293

IUPACN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine
SMILESCCc1nc(CCNC(C)CCOC)cs1
InChIInChI=1S/C12H22N2OS/c1-4-12-14-11(9-16-12)5-7-13-10(2)6-8-15-3/h9-10,13H,4-8H2,1-3H3
InChIKeyYOHMULGLJYILBR-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.26
Rot. Bonds8

About N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine

N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine (PubChem CID 115716293) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine
PubChem CID115716293
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine
SMILESCCc1nc(CCNC(C)CCOC)cs1
InChIInChI=1S/C12H22N2OS/c1-4-12-14-11(9-16-12)5-7-13-10(2)6-8-15-3/h9-10,13H,4-8H2,1-3H3
InChIKeyYOHMULGLJYILBR-UHFFFAOYSA-N
XLogP2.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111234449
(2S)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 125446584
3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]-N-propan-2-ylpropan-1-amine
CID 102929665
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 102929669
4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65485245
4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
CID 115889738
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
CID 115607889
(2S)-2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119869551
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentane-1,4-diamine
CID 60727317
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine (CID 115716293) is N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine is CCc1nc(CCNC(C)CCOC)cs1.
What is the InChIKey of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine?
The InChIKey is YOHMULGLJYILBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-12-14-11(9-16-12)5-7-13-10(2)6-8-15-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine?
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methoxybutan-2-amine is sourced from PubChem (CID 115716293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).