4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C10H13F3N2OS — CID 68687633

IUPAC4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1csc(N(CC(F)(F)F)C2CCOC2)n1
InChIInChI=1S/C10H13F3N2OS/c1-7-5-17-9(14-7)15(6-10(11,12)13)8-2-3-16-4-8/h5,8H,2-4,6H2,1H3
InChIKeyMQHCQTJAGVBSPQ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.61
Rot. Bonds3

About 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 68687633) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID68687633
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1csc(N(CC(F)(F)F)C2CCOC2)n1
InChIInChI=1S/C10H13F3N2OS/c1-7-5-17-9(14-7)15(6-10(11,12)13)8-2-3-16-4-8/h5,8H,2-4,6H2,1H3
InChIKeyMQHCQTJAGVBSPQ-UHFFFAOYSA-N
XLogP2.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 68687633) is 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is Cc1csc(N(CC(F)(F)F)C2CCOC2)n1.
What is the InChIKey of 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is MQHCQTJAGVBSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-7-5-17-9(14-7)15(6-10(11,12)13)8-2-3-16-4-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 266.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 68687633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).