2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole

C11H19N3OS — CID 95789668

IUPAC2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCO[C@@H](C)c1nc(CN2CCNCC2)cs1
InChIInChI=1S/C11H19N3OS/c1-9(15-2)11-13-10(8-16-11)7-14-5-3-12-4-6-14/h8-9,12H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyKKPQNCNHQNXBOE-VIFPVBQESA-N
MW241.36 g/mol
LogP1.26
Rot. Bonds4

About 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole

2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 95789668) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID95789668
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCO[C@@H](C)c1nc(CN2CCNCC2)cs1
InChIInChI=1S/C11H19N3OS/c1-9(15-2)11-13-10(8-16-11)7-14-5-3-12-4-6-14/h8-9,12H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyKKPQNCNHQNXBOE-VIFPVBQESA-N
XLogP1.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
CID 111612856
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
4-[[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-2-[(1R)-1-methoxyethyl]-1,3-thiazole
CID 97220170
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
4-[[4-(2,3-dihydro-1H-indol-7-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-(1-methoxyethyl)-1,3-thiazole
CID 120853137
5-fluoro-1-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methyl]pyridin-2-one
CID 99831395
2-[(1S)-1-methoxyethyl]-4-(triazol-1-ylmethyl)-1,3-thiazole
CID 99621422
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
CID 61487353
4-(2-methyl-2-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole
CID 116891607
2-(1-ethoxyethyl)-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 122157188
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole (CID 95789668) is 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole is CO[C@@H](C)c1nc(CN2CCNCC2)cs1.
What is the InChIKey of 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is KKPQNCNHQNXBOE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(15-2)11-13-10(8-16-11)7-14-5-3-12-4-6-14/h8-9,12H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole?
2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 241.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 95789668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).