4-deuterio-5-phenyl-1,2-thiazole

C9H7NS — CID 10583124

IUPAC4-deuterio-5-phenyl-1,2-thiazole
SMILES[2H]c1cnsc1-c1ccccc1
InChIInChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H/i6D
InChIKeyGCJTZGLHWFXNSS-RAMDWTOOSA-N
MW162.24 g/mol
LogP2.81
Rot. Bonds1

About 4-deuterio-5-phenyl-1,2-thiazole

4-deuterio-5-phenyl-1,2-thiazole (PubChem CID 10583124) has the molecular formula C9H7NS and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-deuterio-5-phenyl-1,2-thiazole.

Molecular Properties

Compound Name4-deuterio-5-phenyl-1,2-thiazole
PubChem CID10583124
Molecular FormulaC9H7NS
Molecular Weight162.24 g/mol
Exact Mass162.04
IUPAC Name4-deuterio-5-phenyl-1,2-thiazole
SMILES[2H]c1cnsc1-c1ccccc1
InChIInChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H/i6D
InChIKeyGCJTZGLHWFXNSS-RAMDWTOOSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzisothiazole
CID 9225
4-Phenylisothiazole
CID 136748
Isothiazole,4-(phenylmethyl)-
CID 142078
3-Methyl-5-phenyl-1,2-thiazole
CID 600269
5-Phenyl-4-isothiazolamine
CID 82410733
5-Phenylisothiazole
CID 265813
(3-Phenyl-1,2-thiazol-5-yl)methanamine
CID 65814892
5-(4-Methylphenyl)-1,2-thiazole
CID 270012
5-(4-Chlorophenyl)-1,2-thiazole
CID 5323910
InChI=1/C10H9NS/c1-8-10(7-11-12-8)9-5-3-2-4-6-9/h2-7H,1H
CID 5324804
4-Bromo-5-phenylisothiazole
CID 10800051
4-Methyl-5-phenyl-1,2-thiazole
CID 12339569

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-5-phenyl-1,2-thiazole?
The IUPAC name of 4-deuterio-5-phenyl-1,2-thiazole (CID 10583124) is 4-deuterio-5-phenyl-1,2-thiazole.
What is the SMILES notation for 4-deuterio-5-phenyl-1,2-thiazole?
The canonical SMILES for 4-deuterio-5-phenyl-1,2-thiazole is [2H]c1cnsc1-c1ccccc1.
What is the InChIKey of 4-deuterio-5-phenyl-1,2-thiazole?
The InChIKey is GCJTZGLHWFXNSS-RAMDWTOOSA-N. The full InChI is InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H/i6D.
What are the key properties of 4-deuterio-5-phenyl-1,2-thiazole?
4-deuterio-5-phenyl-1,2-thiazole has a molecular weight of 162.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-5-phenyl-1,2-thiazole is sourced from PubChem (CID 10583124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).