4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H22F3N3OS — CID 107509900

IUPAC4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CC(F)(F)F)sc1CNCC(C)C
InChIInChI=1S/C13H22F3N3OS/c1-9(2)5-17-6-11-10(7-20-4)18-12(21-11)19(3)8-13(14,15)16/h9,17H,5-8H2,1-4H3
InChIKeySDXSCONBIWFCTI-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.03
Rot. Bonds8

About 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 107509900) has the molecular formula C13H22F3N3OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID107509900
Molecular FormulaC13H22F3N3OS
Molecular Weight325.40 g/mol
Exact Mass325.14
IUPAC Name4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCOCc1nc(N(C)CC(F)(F)F)sc1CNCC(C)C
InChIInChI=1S/C13H22F3N3OS/c1-9(2)5-17-6-11-10(7-20-4)18-12(21-11)19(3)8-13(14,15)16/h9,17H,5-8H2,1-4H3
InChIKeySDXSCONBIWFCTI-UHFFFAOYSA-N
XLogP3.03
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 107509900) is 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is COCc1nc(N(C)CC(F)(F)F)sc1CNCC(C)C.
What is the InChIKey of 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is SDXSCONBIWFCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3OS/c1-9(2)5-17-6-11-10(7-20-4)18-12(21-11)19(3)8-13(14,15)16/h9,17H,5-8H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 325.40 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107509900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).