3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride

C14H17ClN2O2S — CID 162349114

IUPAC3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1cccc([C@H](O)c2csc(C3CCCN3)n2)c1
InChIInChI=1S/C14H16N2O2S.ClH/c17-10-4-1-3-9(7-10)13(18)12-8-19-14(16-12)11-5-2-6-15-11;/h1,3-4,7-8,11,13,15,17-18H,2,5-6H2;1H/t11?,13-;/m0./s1
InChIKeyINULGJKYMSIHDV-IYWIJXFJSA-N
MW312.82 g/mol
LogP2.78
Rot. Bonds3

About 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride

3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride (PubChem CID 162349114) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride
PubChem CID162349114
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1cccc([C@H](O)c2csc(C3CCCN3)n2)c1
InChIInChI=1S/C14H16N2O2S.ClH/c17-10-4-1-3-9(7-10)13(18)12-8-19-14(16-12)11-5-2-6-15-11;/h1,3-4,7-8,11,13,15,17-18H,2,5-6H2;1H/t11?,13-;/m0./s1
InChIKeyINULGJKYMSIHDV-IYWIJXFJSA-N
XLogP2.78
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxyphenyl)-[2-[(2S)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]methanone
CID 138695861
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 67579600
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
4-cyclopentyl-2-piperidin-2-yl-1,3-thiazole
CID 62634064
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)acetaldehyde
CID 115088378
2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82670556
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 83292303
4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole
CID 62539823

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride?
The IUPAC name of 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride (CID 162349114) is 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride is Cl.Oc1cccc([C@H](O)c2csc(C3CCCN3)n2)c1.
What is the InChIKey of 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride?
The InChIKey is INULGJKYMSIHDV-IYWIJXFJSA-N. The full InChI is InChI=1S/C14H16N2O2S.ClH/c17-10-4-1-3-9(7-10)13(18)12-8-19-14(16-12)11-5-2-6-15-11;/h1,3-4,7-8,11,13,15,17-18H,2,5-6H2;1H/t11?,13-;/m0./s1.
What are the key properties of 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride?
3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-hydroxy-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 162349114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).