N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide

C20H25N3O2S — CID 1236968

IUPACN-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C20H25N3O2S/c24-19(21-16-9-5-2-6-10-16)18-17(15-7-3-1-4-8-15)22-20(26-18)23-11-13-25-14-12-23/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,24)
InChIKeyKIOGFGVOUARZAE-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.71
Rot. Bonds4

About N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide

N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 1236968) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID1236968
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1sc(N2CCOCC2)nc1-c1ccccc1
InChIInChI=1S/C20H25N3O2S/c24-19(21-16-9-5-2-6-10-16)18-17(15-7-3-1-4-8-15)22-20(26-18)23-11-13-25-14-12-23/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,24)
InChIKeyKIOGFGVOUARZAE-UHFFFAOYSA-N
XLogP3.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide (CID 1236968) is N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide is O=C(NC1CCCCC1)c1sc(N2CCOCC2)nc1-c1ccccc1.
What is the InChIKey of N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KIOGFGVOUARZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(21-16-9-5-2-6-10-16)18-17(15-7-3-1-4-8-15)22-20(26-18)23-11-13-25-14-12-23/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,21,24).
What are the key properties of N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide?
N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-morpholin-4-yl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1236968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).