N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine

C12H22N2OS — CID 115886207

IUPACN-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine
SMILESCOCCc1nc(C)c(C(C)NC(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-8(2)13-9(3)12-10(4)14-11(16-12)6-7-15-5/h8-9,13H,6-7H2,1-5H3
InChIKeyXRNANADKVGQSRL-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.70
Rot. Bonds6

About N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine

N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine (PubChem CID 115886207) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine
PubChem CID115886207
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine
SMILESCOCCc1nc(C)c(C(C)NC(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-8(2)13-9(3)12-10(4)14-11(16-12)6-7-15-5/h8-9,13H,6-7H2,1-5H3
InChIKeyXRNANADKVGQSRL-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001080
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402343
(1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 98870174
1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 115346935
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663
1-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287596
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82425664
N-ethyl-5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425679
N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115713252
2-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64663104
5-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82425677

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The IUPAC name of N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine (CID 115886207) is N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine is COCCc1nc(C)c(C(C)NC(C)C)s1.
What is the InChIKey of N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine?
The InChIKey is XRNANADKVGQSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(2)13-9(3)12-10(4)14-11(16-12)6-7-15-5/h8-9,13H,6-7H2,1-5H3.
What are the key properties of N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine?
N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine is sourced from PubChem (CID 115886207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).