4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine

C11H16F3N3OS — CID 106210376

IUPAC4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3OS/c1-17(2)9-16-8(18-3)7(19-9)6-15-10(4-5-10)11(12,13)14/h15H,4-6H2,1-3H3
InChIKeyVTFYOQYCICIMPL-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.40
Rot. Bonds5

About 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine

4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 106210376) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID106210376
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1nc(N(C)C)sc1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3OS/c1-17(2)9-16-8(18-3)7(19-9)6-15-10(4-5-10)11(12,13)14/h15H,4-6H2,1-3H3
InChIKeyVTFYOQYCICIMPL-UHFFFAOYSA-N
XLogP2.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine (CID 106210376) is 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine is COc1nc(N(C)C)sc1CNC1(C(F)(F)F)CC1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is VTFYOQYCICIMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-17(2)9-16-8(18-3)7(19-9)6-15-10(4-5-10)11(12,13)14/h15H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine?
4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 295.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethyl-5-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 106210376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).