(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol

C16H17N3OS — CID 99699763

IUPAC(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol
SMILESCc1nc(CCn2ccnc2[C@@H](O)c2ccccc2)cs1
InChIInChI=1S/C16H17N3OS/c1-12-18-14(11-21-12)7-9-19-10-8-17-16(19)15(20)13-5-3-2-4-6-13/h2-6,8,10-11,15,20H,7,9H2,1H3/t15-/m0/s1
InChIKeyLPVRGQXBSJZBLF-HNNXBMFYSA-N
MW299.40 g/mol
LogP2.97
Rot. Bonds5

About (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol

(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol (PubChem CID 99699763) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol
PubChem CID99699763
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol
SMILESCc1nc(CCn2ccnc2[C@@H](O)c2ccccc2)cs1
InChIInChI=1S/C16H17N3OS/c1-12-18-14(11-21-12)7-9-19-10-8-17-16(19)15(20)13-5-3-2-4-6-13/h2-6,8,10-11,15,20H,7,9H2,1H3/t15-/m0/s1
InChIKeyLPVRGQXBSJZBLF-HNNXBMFYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-[1-[2-(2-methylbenzimidazol-1-yl)ethyl]imidazol-2-yl]-phenylmethanol
CID 99699872
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465
phenyl-[1-(thiophen-2-ylmethyl)imidazol-2-yl]methanol
CID 167786618
(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol
CID 99635029
(R)-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanol
CID 99823177
[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol
CID 86817089
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55794013
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
CID 124758426
phenyl-(1-propan-2-ylimidazol-2-yl)methanol
CID 83392922
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol?
The IUPAC name of (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol (CID 99699763) is (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol is Cc1nc(CCn2ccnc2[C@@H](O)c2ccccc2)cs1.
What is the InChIKey of (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol?
The InChIKey is LPVRGQXBSJZBLF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12-18-14(11-21-12)7-9-19-10-8-17-16(19)15(20)13-5-3-2-4-6-13/h2-6,8,10-11,15,20H,7,9H2,1H3/t15-/m0/s1.
What are the key properties of (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol?
(S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol has a molecular weight of 299.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]imidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 99699763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).