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

C14H14N4OS — CID 167449135

IUPAC(R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
SMILESCc1cnccc1Cc1cnc([C@@H](O)c2cncs2)[nH]1
InChIInChI=1S/C14H14N4OS/c1-9-5-15-3-2-10(9)4-11-6-17-14(18-11)13(19)12-7-16-8-20-12/h2-3,5-8,13,19H,4H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyUVBHRIDAJWKMAG-ZDUSSCGKSA-N
MW286.36 g/mol
LogP2.24
Rot. Bonds4

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

(R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol (PubChem CID 167449135) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
PubChem CID167449135
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name(R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol
SMILESCc1cnccc1Cc1cnc([C@@H](O)c2cncs2)[nH]1
InChIInChI=1S/C14H14N4OS/c1-9-5-15-3-2-10(9)4-11-6-17-14(18-11)13(19)12-7-16-8-20-12/h2-3,5-8,13,19H,4H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyUVBHRIDAJWKMAG-ZDUSSCGKSA-N
XLogP2.24
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The IUPAC name of (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol (CID 167449135) is (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol is Cc1cnccc1Cc1cnc([C@@H](O)c2cncs2)[nH]1.
What is the InChIKey of (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
The InChIKey is UVBHRIDAJWKMAG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-5-15-3-2-10(9)4-11-6-17-14(18-11)13(19)12-7-16-8-20-12/h2-3,5-8,13,19H,4H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol?
(R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol has a molecular weight of 286.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[5-[(3-methyl-4-pyridinyl)methyl]-1H-imidazol-2-yl]-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 167449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).