2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine

C15H14N6OS2 — CID 141400723

IUPAC2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine
SMILESc1c[nH]c(NN(Nc2ccco2)c2nc(Nc3cccs3)cs2)c1
InChIInChI=1S/C15H14N6OS2/c1-4-11(16-7-1)19-21(20-13-5-2-8-22-13)15-18-12(10-24-15)17-14-6-3-9-23-14/h1-10,16-17,19-20H
InChIKeyARCOMNXYUUPEMU-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.73
Rot. Bonds7

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

2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine (PubChem CID 141400723) has the molecular formula C15H14N6OS2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine
PubChem CID141400723
Molecular FormulaC15H14N6OS2
Molecular Weight358.45 g/mol
Exact Mass358.07
IUPAC Name2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine
SMILESc1c[nH]c(NN(Nc2ccco2)c2nc(Nc3cccs3)cs2)c1
InChIInChI=1S/C15H14N6OS2/c1-4-11(16-7-1)19-21(20-13-5-2-8-22-13)15-18-12(10-24-15)17-14-6-3-9-23-14/h1-10,16-17,19-20H
InChIKeyARCOMNXYUUPEMU-UHFFFAOYSA-N
XLogP4.73
TPSA81.15 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
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 158586200
CID 158586200
CID 159138006
CID 159138006
CID 159329484
CID 159329484
CID 160089594
CID 160089594
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

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine (CID 141400723) is 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine is c1c[nH]c(NN(Nc2ccco2)c2nc(Nc3cccs3)cs2)c1.
What is the InChIKey of 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine?
The InChIKey is ARCOMNXYUUPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS2/c1-4-11(16-7-1)19-21(20-13-5-2-8-22-13)15-18-12(10-24-15)17-14-6-3-9-23-14/h1-10,16-17,19-20H.
What are the key properties of 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine?
2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine has a molecular weight of 358.45 g/mol, XLogP of 4.73, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylamino)-2-N-(1H-pyrrol-2-ylamino)-4-N-thiophen-2-yl-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 141400723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).