4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C13H11F3N2OS — CID 162549290

IUPAC4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)N=O
InChIInChI=1S/C13H11F3N2OS/c1-7-11(8(2)18-19)20-12(17-7)9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,1-2H3
InChIKeyWLTZXDSMKOOAMI-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.96
Rot. Bonds3

About 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 162549290) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID162549290
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)N=O
InChIInChI=1S/C13H11F3N2OS/c1-7-11(8(2)18-19)20-12(17-7)9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,1-2H3
InChIKeyWLTZXDSMKOOAMI-UHFFFAOYSA-N
XLogP4.96
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol
CID 143433872
1-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280917
2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanal
CID 58765727
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propyl 2-phenylpropanoate
CID 21051239
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 152502733
N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate
CID 59280725
3-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenyl]propanoic acid
CID 10127507
5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141167706

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 162549290) is 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(C)N=O.
What is the InChIKey of 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is WLTZXDSMKOOAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c1-7-11(8(2)18-19)20-12(17-7)9-3-5-10(6-4-9)13(14,15)16/h3-6,8H,1-2H3.
What are the key properties of 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 300.31 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 162549290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).