N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

C12H18N4S — CID 75432137

IUPACN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCN(CCc1nccs1)Cc1nccn1C
InChIInChI=1S/C12H18N4S/c1-3-16(7-4-12-14-6-9-17-12)10-11-13-5-8-15(11)2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyFKCPMWLUIVQKLI-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.94
Rot. Bonds6

About N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 75432137) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID75432137
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCCN(CCc1nccs1)Cc1nccn1C
InChIInChI=1S/C12H18N4S/c1-3-16(7-4-12-14-6-9-17-12)10-11-13-5-8-15(11)2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyFKCPMWLUIVQKLI-UHFFFAOYSA-N
XLogP1.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
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1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
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N-ethyl-N-[[8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 118746152
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(1S)-N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 97879103
2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 75432137) is N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is CCN(CCc1nccs1)Cc1nccn1C.
What is the InChIKey of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is FKCPMWLUIVQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-16(7-4-12-14-6-9-17-12)10-11-13-5-8-15(11)2/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 75432137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).