[5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol

C15H19N3O2S2 — CID 91349060

IUPAC[5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol
SMILESCc1sc(SCc2cc(N3CCOCC3)ccn2)nc1CO
InChIInChI=1S/C15H19N3O2S2/c1-11-14(9-19)17-15(22-11)21-10-12-8-13(2-3-16-12)18-4-6-20-7-5-18/h2-3,8,19H,4-7,9-10H2,1H3
InChIKeyNYIDRYLLVSEAQB-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.47
Rot. Bonds5

About [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol

[5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol (PubChem CID 91349060) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol
PubChem CID91349060
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name[5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol
SMILESCc1sc(SCc2cc(N3CCOCC3)ccn2)nc1CO
InChIInChI=1S/C15H19N3O2S2/c1-11-14(9-19)17-15(22-11)21-10-12-8-13(2-3-16-12)18-4-6-20-7-5-18/h2-3,8,19H,4-7,9-10H2,1H3
InChIKeyNYIDRYLLVSEAQB-UHFFFAOYSA-N
XLogP2.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol (CID 91349060) is [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol is Cc1sc(SCc2cc(N3CCOCC3)ccn2)nc1CO.
What is the InChIKey of [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is NYIDRYLLVSEAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-11-14(9-19)17-15(22-11)21-10-12-8-13(2-3-16-12)18-4-6-20-7-5-18/h2-3,8,19H,4-7,9-10H2,1H3.
What are the key properties of [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol?
[5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 337.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[(4-morpholin-4-yl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 91349060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).