N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C14H16N4OS2 — CID 133492755

IUPACN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NCc2csc(-c3ccco3)n2)n1
InChIInChI=1S/C14H16N4OS2/c1-9(2)6-12-17-14(21-18-12)15-7-10-8-20-13(16-10)11-4-3-5-19-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyPVJGOUMKLVRNNQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.07
Rot. Bonds6

About N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133492755) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133492755
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC NameN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)Cc1nsc(NCc2csc(-c3ccco3)n2)n1
InChIInChI=1S/C14H16N4OS2/c1-9(2)6-12-17-14(21-18-12)15-7-10-8-20-13(16-10)11-4-3-5-19-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyPVJGOUMKLVRNNQ-UHFFFAOYSA-N
XLogP4.07
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 133492755) is N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)Cc1nsc(NCc2csc(-c3ccco3)n2)n1.
What is the InChIKey of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PVJGOUMKLVRNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-9(2)6-12-17-14(21-18-12)15-7-10-8-20-13(16-10)11-4-3-5-19-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 320.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133492755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).