[(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol

C12H16N4OS — CID 155493928

IUPAC[(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCc1ncsc1-c1nccn1[C@@H]1CN[C@@H](CO)C1
InChIInChI=1S/C12H16N4OS/c1-8-11(18-7-15-8)12-13-2-3-16(12)10-4-9(6-17)14-5-10/h2-3,7,9-10,14,17H,4-6H2,1H3/t9-,10+/m1/s1
InChIKeyRTLDRFPQWINLPQ-ZJUUUORDSA-N
MW264.35 g/mol
LogP1.21
Rot. Bonds3

About [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol

[(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol (PubChem CID 155493928) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
PubChem CID155493928
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCc1ncsc1-c1nccn1[C@@H]1CN[C@@H](CO)C1
InChIInChI=1S/C12H16N4OS/c1-8-11(18-7-15-8)12-13-2-3-16(12)10-4-9(6-17)14-5-10/h2-3,7,9-10,14,17H,4-6H2,1H3/t9-,10+/m1/s1
InChIKeyRTLDRFPQWINLPQ-ZJUUUORDSA-N
XLogP1.21
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol (CID 155493928) is [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol is Cc1ncsc1-c1nccn1[C@@H]1CN[C@@H](CO)C1.
What is the InChIKey of [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The InChIKey is RTLDRFPQWINLPQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-11(18-7-15-8)12-13-2-3-16(12)10-4-9(6-17)14-5-10/h2-3,7,9-10,14,17H,4-6H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
[(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol has a molecular weight of 264.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-[2-(4-methyl-1,3-thiazol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 155493928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).