2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide

C19H21N5O3S — CID 46959991

IUPAC2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)c(C)o1
InChIInChI=1S/C19H21N5O3S/c1-10-7-12(11(2)27-10)18(26)20-9-16(25)23(3)19-22-17-13-8-21-24(4)14(13)5-6-15(17)28-19/h7-8H,5-6,9H2,1-4H3,(H,20,26)
InChIKeyDDZMEYQABQRELQ-UHFFFAOYSA-N
MW399.48 g/mol
LogP2.24
Rot. Bonds4

About 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 46959991) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID46959991
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)c(C)o1
InChIInChI=1S/C19H21N5O3S/c1-10-7-12(11(2)27-10)18(26)20-9-16(25)23(3)19-22-17-13-8-21-24(4)14(13)5-6-15(17)28-19/h7-8H,5-6,9H2,1-4H3,(H,20,26)
InChIKeyDDZMEYQABQRELQ-UHFFFAOYSA-N
XLogP2.24
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide (CID 46959991) is 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide is Cc1cc(C(=O)NCC(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is DDZMEYQABQRELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-10-7-12(11(2)27-10)18(26)20-9-16(25)23(3)19-22-17-13-8-21-24(4)14(13)5-6-15(17)28-19/h7-8H,5-6,9H2,1-4H3,(H,20,26).
What are the key properties of 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[methyl-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 46959991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).