[(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
CID 155500671
[(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
CID 154821234
[(2R,4S)-4-[2-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]imidazol-1-yl]pyrrolidin-2-yl]methanol
CID 146039524
4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole
CID 171106593
4-methyl-5-[1-(pyrazolo[1,5-a]pyridin-4-ylmethyl)imidazol-2-yl]-1,3-thiazole
CID 138380573
[2-(2-methylimidazol-1-yl)cyclopropyl]methanol
CID 130710634
[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol
CID 154823973
[(1S,4R,9S,10R)-10-methyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methanone
CID 110140441
[3-(2-methylimidazol-1-yl)cyclohexyl]methanol
CID 174383256
(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride
CID 154923336
4-methyl-5-(8-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
CID 102792292
2-[(3S,7S,8aS)-7-[2-(5-methyl-1H-imidazol-2-yl)imidazol-1-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]ethanol
CID 155910278

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).