[4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol

C11H12BrN3O2S — CID 67055510

IUPAC[4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol
SMILESCOCn1ccsc1=Nc1cc(Br)cc(CO)n1
InChIInChI=1S/C11H12BrN3O2S/c1-17-7-15-2-3-18-11(15)14-10-5-8(12)4-9(6-16)13-10/h2-5,16H,6-7H2,1H3
InChIKeyOIBUATVBAAUNBZ-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.04
Rot. Bonds4

About [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol

[4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol (PubChem CID 67055510) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol
PubChem CID67055510
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name[4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol
SMILESCOCn1ccsc1=Nc1cc(Br)cc(CO)n1
InChIInChI=1S/C11H12BrN3O2S/c1-17-7-15-2-3-18-11(15)14-10-5-8(12)4-9(6-16)13-10/h2-5,16H,6-7H2,1H3
InChIKeyOIBUATVBAAUNBZ-UHFFFAOYSA-N
XLogP2.04
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol?
The IUPAC name of [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol (CID 67055510) is [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol.
What is the SMILES notation for [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol?
The canonical SMILES for [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol is COCn1ccsc1=Nc1cc(Br)cc(CO)n1.
What is the InChIKey of [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol?
The InChIKey is OIBUATVBAAUNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-17-7-15-2-3-18-11(15)14-10-5-8(12)4-9(6-16)13-10/h2-5,16H,6-7H2,1H3.
What are the key properties of [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol?
[4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol has a molecular weight of 330.21 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-6-[[3-(methoxymethyl)-1,3-thiazol-2-ylidene]amino]-2-pyridinyl]methanol is sourced from PubChem (CID 67055510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).