[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol

C14H16N2OS — CID 133371791

IUPAC[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H16N2OS/c17-9-12-7-4-8-16(12)14-15-13(10-18-14)11-5-2-1-3-6-11/h1-3,5-6,10,12,17H,4,7-9H2/t12-/m0/s1
InChIKeySMRGVNRXAMMWKT-LBPRGKRZSA-N
MW260.36 g/mol
LogP2.77
Rot. Bonds3

About [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol

[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 133371791) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
PubChem CID133371791
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H16N2OS/c17-9-12-7-4-8-16(12)14-15-13(10-18-14)11-5-2-1-3-6-11/h1-3,5-6,10,12,17H,4,7-9H2/t12-/m0/s1
InChIKeySMRGVNRXAMMWKT-LBPRGKRZSA-N
XLogP2.77
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid
CID 61009837
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 120965088
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122058968
N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 117094071
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1038969
benzyl (2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1283055
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62755289
(2R)-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 6577339
[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221219

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol (CID 133371791) is [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1nc(-c2ccccc2)cs1.
What is the InChIKey of [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is SMRGVNRXAMMWKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-9-12-7-4-8-16(12)14-15-13(10-18-14)11-5-2-1-3-6-11/h1-3,5-6,10,12,17H,4,7-9H2/t12-/m0/s1.
What are the key properties of [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol?
[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 260.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133371791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).