[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol

C14H24N2OS — CID 154758210

IUPAC[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
SMILESCCCC1(CO)CCN(Cc2csc(CC)n2)C1
InChIInChI=1S/C14H24N2OS/c1-3-5-14(11-17)6-7-16(10-14)8-12-9-18-13(4-2)15-12/h9,17H,3-8,10-11H2,1-2H3
InChIKeyILRTXEGDHKJWNK-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.69
Rot. Bonds6

About [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol

[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol (PubChem CID 154758210) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
PubChem CID154758210
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
SMILESCCCC1(CO)CCN(Cc2csc(CC)n2)C1
InChIInChI=1S/C14H24N2OS/c1-3-5-14(11-17)6-7-16(10-14)8-12-9-18-13(4-2)15-12/h9,17H,3-8,10-11H2,1-2H3
InChIKeyILRTXEGDHKJWNK-UHFFFAOYSA-N
XLogP2.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
CID 126808222
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708193
[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
CID 70759213
[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanol
CID 116969329
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
3-ethoxy-7-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111457237
3-ethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 63137440
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120771298
4-[(4,4-diethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 55166232

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol (CID 154758210) is [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol is CCCC1(CO)CCN(Cc2csc(CC)n2)C1.
What is the InChIKey of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol?
The InChIKey is ILRTXEGDHKJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-5-14(11-17)6-7-16(10-14)8-12-9-18-13(4-2)15-12/h9,17H,3-8,10-11H2,1-2H3.
What are the key properties of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol?
[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol has a molecular weight of 268.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 154758210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).