N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C17H14N4O2S2 — CID 78899711

IUPACN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccco3)cs2)c(C)n1-c1nccs1
InChIInChI=1S/C17H14N4O2S2/c1-10-8-12(11(2)21(10)17-18-5-7-24-17)15(22)20-16-19-13(9-25-16)14-4-3-6-23-14/h3-9H,1-2H3,(H,19,20,22)
InChIKeyGRNKHMBSHOUUQU-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.52
Rot. Bonds4

About N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 78899711) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID78899711
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC NameN-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccco3)cs2)c(C)n1-c1nccs1
InChIInChI=1S/C17H14N4O2S2/c1-10-8-12(11(2)21(10)17-18-5-7-24-17)15(22)20-16-19-13(9-25-16)14-4-3-6-23-14/h3-9H,1-2H3,(H,19,20,22)
InChIKeyGRNKHMBSHOUUQU-UHFFFAOYSA-N
XLogP4.52
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 78899711) is N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccco3)cs2)c(C)n1-c1nccs1.
What is the InChIKey of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is GRNKHMBSHOUUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-10-8-12(11(2)21(10)17-18-5-7-24-17)15(22)20-16-19-13(9-25-16)14-4-3-6-23-14/h3-9H,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78899711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).