N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide

C20H20N4O2S — CID 170510965

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCc3nc4c(s3)CCC4)c2)nn1
InChIInChI=1S/C20H20N4O2S/c1-26-18-9-8-15(23-24-18)13-4-2-5-14(12-13)20(25)21-11-10-19-22-16-6-3-7-17(16)27-19/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,21,25)
InChIKeyBTPOVLFFHAUDAI-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 170510965) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
PubChem CID170510965
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCc3nc4c(s3)CCC4)c2)nn1
InChIInChI=1S/C20H20N4O2S/c1-26-18-9-8-15(23-24-18)13-4-2-5-14(12-13)20(25)21-11-10-19-22-16-6-3-7-17(16)27-19/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,21,25)
InChIKeyBTPOVLFFHAUDAI-UHFFFAOYSA-N
XLogP3.07
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide (CID 170510965) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2cccc(C(=O)NCCc3nc4c(s3)CCC4)c2)nn1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is BTPOVLFFHAUDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-26-18-9-8-15(23-24-18)13-4-2-5-14(12-13)20(25)21-11-10-19-22-16-6-3-7-17(16)27-19/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,21,25).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 170510965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).