2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole

C16H16N2OS2 — CID 91428005

IUPAC2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(CSc2cnc(-c3ccccc3)s2)o1
InChIInChI=1S/C16H16N2OS2/c1-11(2)13-8-17-14(19-13)10-20-15-9-18-16(21-15)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyUSKMQFVSJDGZFS-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.21
Rot. Bonds5

About 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole

2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole (PubChem CID 91428005) has the molecular formula C16H16N2OS2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole
PubChem CID91428005
Molecular FormulaC16H16N2OS2
Molecular Weight316.45 g/mol
Exact Mass316.07
IUPAC Name2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(CSc2cnc(-c3ccccc3)s2)o1
InChIInChI=1S/C16H16N2OS2/c1-11(2)13-8-17-14(19-13)10-20-15-9-18-16(21-15)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyUSKMQFVSJDGZFS-UHFFFAOYSA-N
XLogP5.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Phenyl-1-(5-thiazol-2-yl-oxazol-2-yl)-heptan-1-one
CID 11336752
1-[(3,4-Difluorophenyl)methyl]-3-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]urea
CID 22971079
N-(2,4-difluorophenyl)-3-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N-methylpropanamide
CID 141951318
1-(2,6-Difluorophenyl)-4-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]butan-2-one
CID 142070048
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103096818
2-Cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 126822631
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(2-phenylpropan-2-yl)urea
CID 22970823
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(1-phenylethyl)urea
CID 22970824
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[(3-methylphenyl)methyl]urea
CID 22970861
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 22970863
1-[5-[(5-Ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 22970866
S-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl] 2-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]ethanethioate
CID 22970932

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole (CID 91428005) is 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole is CC(C)c1cnc(CSc2cnc(-c3ccccc3)s2)o1.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole?
The InChIKey is USKMQFVSJDGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS2/c1-11(2)13-8-17-14(19-13)10-20-15-9-18-16(21-15)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole?
2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole has a molecular weight of 316.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-5-yl)sulfanylmethyl]-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 91428005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).