N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide

C18H20N4O2S — CID 126824836

IUPACN-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)s1
InChIInChI=1S/C18H20N4O2S/c1-2-20-17-21-12-15(25-17)16(23)22-18(6-8-24-9-7-18)14-5-3-4-13(10-14)11-19/h3-5,10,12H,2,6-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyYNFRIDDGFSNQTM-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.88
Rot. Bonds5

About N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide

N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 126824836) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID126824836
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)s1
InChIInChI=1S/C18H20N4O2S/c1-2-20-17-21-12-15(25-17)16(23)22-18(6-8-24-9-7-18)14-5-3-4-13(10-14)11-19/h3-5,10,12H,2,6-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyYNFRIDDGFSNQTM-UHFFFAOYSA-N
XLogP2.88
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 126824836) is N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)s1.
What is the InChIKey of N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is YNFRIDDGFSNQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-2-20-17-21-12-15(25-17)16(23)22-18(6-8-24-9-7-18)14-5-3-4-13(10-14)11-19/h3-5,10,12H,2,6-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126824836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).