2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide

C19H23ClN4O2S — CID 175859623

IUPAC2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CCOCC2)CC1c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C19H23ClN4O2S/c20-15-4-2-1-3-14(15)16-12-27-18(22-16)17-11-13(5-6-24(17)19(21)25)23-7-9-26-10-8-23/h1-4,12-13,17H,5-11H2,(H2,21,25)
InChIKeyVUWZARBYGQSVBO-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.38
Rot. Bonds3

About 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide

2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide (PubChem CID 175859623) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
PubChem CID175859623
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide
SMILESNC(=O)N1CCC(N2CCOCC2)CC1c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C19H23ClN4O2S/c20-15-4-2-1-3-14(15)16-12-27-18(22-16)17-11-13(5-6-24(17)19(21)25)23-7-9-26-10-8-23/h1-4,12-13,17H,5-11H2,(H2,21,25)
InChIKeyVUWZARBYGQSVBO-UHFFFAOYSA-N
XLogP3.38
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide (CID 175859623) is 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide is NC(=O)N1CCC(N2CCOCC2)CC1c1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide?
The InChIKey is VUWZARBYGQSVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c20-15-4-2-1-3-14(15)16-12-27-18(22-16)17-11-13(5-6-24(17)19(21)25)23-7-9-26-10-8-23/h1-4,12-13,17H,5-11H2,(H2,21,25).
What are the key properties of 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide?
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 175859623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).