[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

C11H19N3S — CID 62765484

IUPAC[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(N2CCCC2C)sc1CN
InChIInChI=1S/C11H19N3S/c1-3-9-10(7-12)15-11(13-9)14-6-4-5-8(14)2/h8H,3-7,12H2,1-2H3
InChIKeyWQBJMUQUWBJWFQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.15
Rot. Bonds3

About [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62765484) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62765484
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(N2CCCC2C)sc1CN
InChIInChI=1S/C11H19N3S/c1-3-9-10(7-12)15-11(13-9)14-6-4-5-8(14)2/h8H,3-7,12H2,1-2H3
InChIKeyWQBJMUQUWBJWFQ-UHFFFAOYSA-N
XLogP2.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916747
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 65322070
[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393020
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 102728727
[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 83221011
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 115562457
[4-methyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62780487
[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62752011
[2-(2,6-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 62766514
[4-ethyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62769335

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 62765484) is [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCc1nc(N2CCCC2C)sc1CN.
What is the InChIKey of [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WQBJMUQUWBJWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-9-10(7-12)15-11(13-9)14-6-4-5-8(14)2/h8H,3-7,12H2,1-2H3.
What are the key properties of [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62765484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).