5-deuterio-3-phenylmethoxy-1,2-thiazole

C10H9NOS — CID 11019693

IUPAC5-deuterio-3-phenylmethoxy-1,2-thiazole
SMILES[2H]c1cc(OCc2ccccc2)ns1
InChIInChI=1S/C10H9NOS/c1-2-4-9(5-3-1)8-12-10-6-7-13-11-10/h1-7H,8H2/i7D
InChIKeyAIQQNUUPCJHSNJ-WHRKIXHSSA-N
MW192.26 g/mol
LogP2.72
Rot. Bonds3

About 5-deuterio-3-phenylmethoxy-1,2-thiazole

5-deuterio-3-phenylmethoxy-1,2-thiazole (PubChem CID 11019693) has the molecular formula C10H9NOS and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-deuterio-3-phenylmethoxy-1,2-thiazole.

Molecular Properties

Compound Name5-deuterio-3-phenylmethoxy-1,2-thiazole
PubChem CID11019693
Molecular FormulaC10H9NOS
Molecular Weight192.26 g/mol
Exact Mass192.05
IUPAC Name5-deuterio-3-phenylmethoxy-1,2-thiazole
SMILES[2H]c1cc(OCc2ccccc2)ns1
InChIInChI=1S/C10H9NOS/c1-2-4-9(5-3-1)8-12-10-6-7-13-11-10/h1-7H,8H2/i7D
InChIKeyAIQQNUUPCJHSNJ-WHRKIXHSSA-N
XLogP2.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(phenylmethoxy)pyridazine
CID 68982842
2-bromo-5-phenylmethoxypyrazine
CID 46738200
2-methyl-5-phenylmethoxypyrazine
CID 129054090
(6-phenylmethoxypyridazin-3-yl)methanamine
CID 62291717
6-phenylmethoxypyridine-2,3-diamine
CID 67311804
5-phenylmethoxy-[1,3]thiazolo[5,4-b]pyridine
CID 141304726
ethyl-dimethyl-(6-phenylmethoxy-3-pyridinyl)silane
CID 139820510
2-ethyl-5-phenylmethoxypyrazine
CID 144823706
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
1-oxido-3-phenylmethoxypyridazin-1-ium
CID 121216960
2-(chloromethyl)-6-phenylmethoxypyridine
CID 21193174
2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-3-phenylmethoxy-1,2-thiazole?
The IUPAC name of 5-deuterio-3-phenylmethoxy-1,2-thiazole (CID 11019693) is 5-deuterio-3-phenylmethoxy-1,2-thiazole.
What is the SMILES notation for 5-deuterio-3-phenylmethoxy-1,2-thiazole?
The canonical SMILES for 5-deuterio-3-phenylmethoxy-1,2-thiazole is [2H]c1cc(OCc2ccccc2)ns1.
What is the InChIKey of 5-deuterio-3-phenylmethoxy-1,2-thiazole?
The InChIKey is AIQQNUUPCJHSNJ-WHRKIXHSSA-N. The full InChI is InChI=1S/C10H9NOS/c1-2-4-9(5-3-1)8-12-10-6-7-13-11-10/h1-7H,8H2/i7D.
What are the key properties of 5-deuterio-3-phenylmethoxy-1,2-thiazole?
5-deuterio-3-phenylmethoxy-1,2-thiazole has a molecular weight of 192.26 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-3-phenylmethoxy-1,2-thiazole is sourced from PubChem (CID 11019693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).