N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide

C18H17N3OS — CID 52528697

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C18H17N3OS/c1-21-10-11-23-18(21)20-17(22)16-12-6-2-4-8-14(12)19-15-9-5-3-7-13(15)16/h2,4,6,8,10-11H,3,5,7,9H2,1H3/b20-18+
InChIKeyWVRODPLGCYPFRG-CZIZESTLSA-N
MW323.42 g/mol
LogP3.25
Rot. Bonds1

About N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide

N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide (PubChem CID 52528697) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide
PubChem CID52528697
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide
SMILESCn1ccs/c1=N/C(=O)c1c2c(nc3ccccc13)CCCC2
InChIInChI=1S/C18H17N3OS/c1-21-10-11-23-18(21)20-17(22)16-12-6-2-4-8-14(12)19-15-9-5-3-7-13(15)16/h2,4,6,8,10-11H,3,5,7,9H2,1H3/b20-18+
InChIKeyWVRODPLGCYPFRG-CZIZESTLSA-N
XLogP3.25
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3359610
piperidin-1-yl(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 23499
(4-methoxyphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239887
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
(3-methylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239885
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 21239903
N'-phenyl-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 21203873
(2,5-dimethylphenyl)-(1,2,3,4-tetrahydroacridin-9-yl)methanone
CID 21239890
N'-(4-methylbenzoyl)-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 9247855
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide (CID 52528697) is N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide is Cn1ccs/c1=N/C(=O)c1c2c(nc3ccccc13)CCCC2.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide?
The InChIKey is WVRODPLGCYPFRG-CZIZESTLSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-21-10-11-23-18(21)20-17(22)16-12-6-2-4-8-14(12)19-15-9-5-3-7-13(15)16/h2,4,6,8,10-11H,3,5,7,9H2,1H3/b20-18+.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-1,2,3,4-tetrahydroacridine-9-carboxamide is sourced from PubChem (CID 52528697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).