N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide

C18H25N3O2S — CID 174969195

IUPACN-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ncc(N2CCOCC2)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O2S/c22-16(18-8-12-5-13(9-18)7-14(6-12)10-18)20-17-19-11-15(24-17)21-1-3-23-4-2-21/h11-14H,1-10H2,(H,19,20,22)
InChIKeyDELVXMLLACXTTD-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.13
Rot. Bonds3

About N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide

N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 174969195) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID174969195
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ncc(N2CCOCC2)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O2S/c22-16(18-8-12-5-13(9-18)7-14(6-12)10-18)20-17-19-11-15(24-17)21-1-3-23-4-2-21/h11-14H,1-10H2,(H,19,20,22)
InChIKeyDELVXMLLACXTTD-UHFFFAOYSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 174969195) is N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide is O=C(Nc1ncc(N2CCOCC2)s1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is DELVXMLLACXTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-16(18-8-12-5-13(9-18)7-14(6-12)10-18)20-17-19-11-15(24-17)21-1-3-23-4-2-21/h11-14H,1-10H2,(H,19,20,22).
What are the key properties of N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 174969195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).