4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine

C15H13N5OS2 — CID 141292364

IUPAC4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine
SMILESc1c[nH]c(Nc2nc(Nc3ccco3)c(Nc3cccs3)s2)c1
InChIInChI=1S/C15H13N5OS2/c1-4-10(16-7-1)17-15-20-13(18-11-5-2-8-21-11)14(23-15)19-12-6-3-9-22-12/h1-9,16,18-19H,(H,17,20)
InChIKeyLUEWTBPPFRKWFO-UHFFFAOYSA-N
MW343.44 g/mol
LogP5.36
Rot. Bonds6

About 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine

4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine (PubChem CID 141292364) has the molecular formula C15H13N5OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine.

Molecular Properties

Compound Name4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine
PubChem CID141292364
Molecular FormulaC15H13N5OS2
Molecular Weight343.44 g/mol
Exact Mass343.06
IUPAC Name4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine
SMILESc1c[nH]c(Nc2nc(Nc3ccco3)c(Nc3cccs3)s2)c1
InChIInChI=1S/C15H13N5OS2/c1-4-10(16-7-1)17-15-20-13(18-11-5-2-8-21-11)14(23-15)19-12-6-3-9-22-12/h1-9,16,18-19H,(H,17,20)
InChIKeyLUEWTBPPFRKWFO-UHFFFAOYSA-N
XLogP5.36
TPSA77.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.44
LogP ≤ 55.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-(Furan-2-ylcarbamoyl)-1-(1,3-thiazol-2-yl)-3-thiophen-2-ylurea
CID 141115058
2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine
CID 141400723
1-[amino-(1H-pyrrol-2-ylamino)methylidene]-2-methylguanidine;1-carbamimidoyl-1,3-dimethyl-3-(1H-pyrrol-2-yl)guanidine;1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1,2-dimethyl-1-(1H-pyrrol-2-yl)guanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine;1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
CID 157445495
CID 159138006
CID 159138006
CID 159329484
CID 159329484
1-carbamimidoyl-3-(furan-2-yl)-1,3-dimethylguanidine;1-carbamimidoyl-2-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1,2-dimethylguanidine;1-(diaminomethylidene)-2-(furan-2-yl)guanidine;1-(diaminomethylidene)-3-(furan-2-yl)-2-methylguanidine;3-(diaminomethylidene)-1-(furan-2-yl)-1-methylguanidine;3-(diaminomethylidene)-1-methyl-1-thiophen-2-ylguanidine;1-(diaminomethylidene)-2-thiophen-2-ylguanidine;1,1-dimethyl-2-[N'-(1H-pyrrol-2-yl)carbamimidoyl]guanidine;2-[N'-(furan-2-yl)carbamimidoyl]-1,1-dimethylguanidine;1-[N'-(furan-2-yl)carbamimidoyl]-2-methylguanidine;1-(furan-2-yl)-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
CID 161127894
CID 165014100
CID 165014100
furan;1H-imidazole;2H-pyran;1H-pyrrole;thiophene
CID 174050590

Frequently Asked Questions

What is the IUPAC name of 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine?
The IUPAC name of 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine (CID 141292364) is 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine.
What is the SMILES notation for 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine?
The canonical SMILES for 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine is c1c[nH]c(Nc2nc(Nc3ccco3)c(Nc3cccs3)s2)c1.
What is the InChIKey of 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine?
The InChIKey is LUEWTBPPFRKWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS2/c1-4-10(16-7-1)17-15-20-13(18-11-5-2-8-21-11)14(23-15)19-12-6-3-9-22-12/h1-9,16,18-19H,(H,17,20).
What are the key properties of 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine?
4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine has a molecular weight of 343.44 g/mol, XLogP of 5.36, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(furan-2-yl)-2-N-(1H-pyrrol-2-yl)-5-N-thiophen-2-yl-1,3-thiazole-2,4,5-triamine is sourced from PubChem (CID 141292364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).