1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one

C24H25N5O2S — CID 121083117

IUPAC1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCN(c3nc4ccc(C)cc4s3)CC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H25N5O2S/c1-4-27-14-18(21(30)17-7-6-16(3)25-22(17)27)23(31)28-9-11-29(12-10-28)24-26-19-8-5-15(2)13-20(19)32-24/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZSOCBJPEFVPOQP-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.61
Rot. Bonds3

About 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one

1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one (PubChem CID 121083117) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one
PubChem CID121083117
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCN(c3nc4ccc(C)cc4s3)CC2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C24H25N5O2S/c1-4-27-14-18(21(30)17-7-6-16(3)25-22(17)27)23(31)28-9-11-29(12-10-28)24-26-19-8-5-15(2)13-20(19)32-24/h5-8,13-14H,4,9-12H2,1-3H3
InChIKeyZSOCBJPEFVPOQP-UHFFFAOYSA-N
XLogP3.61
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dimethylphenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538954
[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903276
(4-ethylsulfanylphenyl)-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7579353
[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 16953782
(2-chlorophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538906
3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90495193
2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 121083114
N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 44898466
3-[4-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]piperazine-1-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90506951
1-ethyl-3-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
CID 90493323
1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538890
[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 7538941

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one (CID 121083117) is 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCN(c3nc4ccc(C)cc4s3)CC2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one?
The InChIKey is ZSOCBJPEFVPOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-4-27-14-18(21(30)17-7-6-16(3)25-22(17)27)23(31)28-9-11-29(12-10-28)24-26-19-8-5-15(2)13-20(19)32-24/h5-8,13-14H,4,9-12H2,1-3H3.
What are the key properties of 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one?
1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one has a molecular weight of 447.56 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-3-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1,8-naphthyridin-4-one is sourced from PubChem (CID 121083117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).