N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C14H13F3N4OS — CID 167940114

IUPACN-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCn1cncc1CN(Cc1ccoc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H13F3N4OS/c1-20-9-18-4-11(20)6-21(5-10-2-3-22-7-10)13-19-12(8-23-13)14(15,16)17/h2-4,7-9H,5-6H2,1H3
InChIKeyZVCATXUICLAWIK-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.70
Rot. Bonds5

About N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 167940114) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID167940114
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC NameN-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCn1cncc1CN(Cc1ccoc1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H13F3N4OS/c1-20-9-18-4-11(20)6-21(5-10-2-3-22-7-10)13-19-12(8-23-13)14(15,16)17/h2-4,7-9H,5-6H2,1H3
InChIKeyZVCATXUICLAWIK-UHFFFAOYSA-N
XLogP3.70
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 167940114) is N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cn1cncc1CN(Cc1ccoc1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is ZVCATXUICLAWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c1-20-9-18-4-11(20)6-21(5-10-2-3-22-7-10)13-19-12(8-23-13)14(15,16)17/h2-4,7-9H,5-6H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 342.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167940114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).