1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide

C20H18N4O2S — CID 2102760

IUPAC1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)/N=c2\sc3ccccc3n2C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H18N4O2S/c1-4-24-11-14(17(25)13-10-9-12(2)21-18(13)24)19(26)22-20-23(3)15-7-5-6-8-16(15)27-20/h5-11H,4H2,1-3H3/b22-20-
InChIKeyPTBMSQSMCILKAJ-XDOYNYLZSA-N
MW378.46 g/mol
LogP3.02
Rot. Bonds2

About 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 2102760) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID2102760
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)/N=c2\sc3ccccc3n2C)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H18N4O2S/c1-4-24-11-14(17(25)13-10-9-12(2)21-18(13)24)19(26)22-20-23(3)15-7-5-6-8-16(15)27-20/h5-11H,4H2,1-3H3/b22-20-
InChIKeyPTBMSQSMCILKAJ-XDOYNYLZSA-N
XLogP3.02
TPSA69.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 2102760) is 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)/N=c2\sc3ccccc3n2C)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is PTBMSQSMCILKAJ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-4-24-11-14(17(25)13-10-9-12(2)21-18(13)24)19(26)22-20-23(3)15-7-5-6-8-16(15)27-20/h5-11H,4H2,1-3H3/b22-20-.
What are the key properties of 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 2102760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).