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

C18H24N2OS — CID 126808222

IUPAC[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
SMILESCCCC1(CO)CCN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C18H24N2OS/c1-2-8-18(14-21)9-10-20(13-18)11-16-12-22-17(19-16)15-6-4-3-5-7-15/h3-7,12,21H,2,8-11,13-14H2,1H3
InChIKeyPIPRHKGSFOJZBF-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.79
Rot. Bonds6

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

[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol (PubChem CID 126808222) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
PubChem CID126808222
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
SMILESCCCC1(CO)CCN(Cc2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C18H24N2OS/c1-2-8-18(14-21)9-10-20(13-18)11-16-12-22-17(19-16)15-6-4-3-5-7-15/h3-7,12,21H,2,8-11,13-14H2,1H3
InChIKeyPIPRHKGSFOJZBF-UHFFFAOYSA-N
XLogP3.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
CID 154758210
[3-propyl-1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]methanol
CID 70759213
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
CID 120907242
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617

Frequently Asked Questions

What is the IUPAC name of [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol (CID 126808222) is [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol is CCCC1(CO)CCN(Cc2csc(-c3ccccc3)n2)C1.
What is the InChIKey of [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol?
The InChIKey is PIPRHKGSFOJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-2-8-18(14-21)9-10-20(13-18)11-16-12-22-17(19-16)15-6-4-3-5-7-15/h3-7,12,21H,2,8-11,13-14H2,1H3.
What are the key properties of [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol?
[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol has a molecular weight of 316.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 126808222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).