N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

C19H22N4O2S — CID 97446643

IUPACN-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1
InChIInChI=1S/C19H22N4O2S/c1-3-22(2)19(24)16-12-20-18(26-16)17-14-8-7-13(11-15(14)25-21-17)23-9-5-4-6-10-23/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyPEMLVAJMRDYDFN-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.03
Rot. Bonds4

About N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide

N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 97446643) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID97446643
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1
InChIInChI=1S/C19H22N4O2S/c1-3-22(2)19(24)16-12-20-18(26-16)17-14-8-7-13(11-15(14)25-21-17)23-9-5-4-6-10-23/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyPEMLVAJMRDYDFN-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide (CID 97446643) is N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is CCN(C)C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1.
What is the InChIKey of N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is PEMLVAJMRDYDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-22(2)19(24)16-12-20-18(26-16)17-14-8-7-13(11-15(14)25-21-17)23-9-5-4-6-10-23/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide?
N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97446643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).