4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine

C12H14N6OS2 — CID 131898308

IUPAC4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESCn1cnnc1Sc1ccc(CNCc2csc(N)n2)o1
InChIInChI=1S/C12H14N6OS2/c1-18-7-15-17-12(18)21-10-3-2-9(19-10)5-14-4-8-6-20-11(13)16-8/h2-3,6-7,14H,4-5H2,1H3,(H2,13,16)
InChIKeyXLHKKIZYVJDPHT-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.89
Rot. Bonds6

About 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine

4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 131898308) has the molecular formula C12H14N6OS2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID131898308
Molecular FormulaC12H14N6OS2
Molecular Weight322.42 g/mol
Exact Mass322.07
IUPAC Name4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESCn1cnnc1Sc1ccc(CNCc2csc(N)n2)o1
InChIInChI=1S/C12H14N6OS2/c1-18-7-15-17-12(18)21-10-3-2-9(19-10)5-14-4-8-6-20-11(13)16-8/h2-3,6-7,14H,4-5H2,1H3,(H2,13,16)
InChIKeyXLHKKIZYVJDPHT-UHFFFAOYSA-N
XLogP1.89
TPSA94.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine (CID 131898308) is 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine is Cn1cnnc1Sc1ccc(CNCc2csc(N)n2)o1.
What is the InChIKey of 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is XLHKKIZYVJDPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS2/c1-18-7-15-17-12(18)21-10-3-2-9(19-10)5-14-4-8-6-20-11(13)16-8/h2-3,6-7,14H,4-5H2,1H3,(H2,13,16).
What are the key properties of 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine?
4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 322.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131898308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).