N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide

C17H25N3OS — CID 110397924

IUPACN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide
SMILESCNc1nc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H25N3OS/c1-18-16-20-14(10-22-16)2-3-19-15(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,2-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyLXZOSPBFNJXARH-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.06
Rot. Bonds5

About N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide

N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide (PubChem CID 110397924) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide
PubChem CID110397924
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide
SMILESCNc1nc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H25N3OS/c1-18-16-20-14(10-22-16)2-3-19-15(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,2-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyLXZOSPBFNJXARH-UHFFFAOYSA-N
XLogP3.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717869
N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110721981
N-[4-(chloromethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 108745940
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
1-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3-phenylurea
CID 110397891
3,4-dimethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110397866
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110317818
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110739344
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 30182797

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide (CID 110397924) is N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide is CNc1nc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide?
The InChIKey is LXZOSPBFNJXARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-18-16-20-14(10-22-16)2-3-19-15(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h10-13H,2-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide?
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110397924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).