[2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol

C17H22N2OS — CID 62780682

IUPAC[2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N2CCC(c3ccccc3)C2)sc1CO
InChIInChI=1S/C17H22N2OS/c1-2-6-15-16(12-20)21-17(18-15)19-10-9-14(11-19)13-7-4-3-5-8-13/h3-5,7-8,14,20H,2,6,9-12H2,1H3
InChIKeyQSWODKKWULCDTJ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.58
Rot. Bonds5

About [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol

[2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 62780682) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID62780682
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N2CCC(c3ccccc3)C2)sc1CO
InChIInChI=1S/C17H22N2OS/c1-2-6-15-16(12-20)21-17(18-15)19-10-9-14(11-19)13-7-4-3-5-8-13/h3-5,7-8,14,20H,2,6,9-12H2,1H3
InChIKeyQSWODKKWULCDTJ-UHFFFAOYSA-N
XLogP3.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62780508
[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117427
[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63915599
[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 63161595
[4-ethyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780833
N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62753549
3-phenyl-7-(3-phenylpyrrolidin-1-yl)-5-propyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
CID 3320394
2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82433345
[4-(methoxymethyl)-2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 107511144
3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82433351
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62767664
[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 62779816

Frequently Asked Questions

What is the IUPAC name of [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol (CID 62780682) is [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N2CCC(c3ccccc3)C2)sc1CO.
What is the InChIKey of [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is QSWODKKWULCDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-6-15-16(12-20)21-17(18-15)19-10-9-14(11-19)13-7-4-3-5-8-13/h3-5,7-8,14,20H,2,6,9-12H2,1H3.
What are the key properties of [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
[2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 302.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).