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

C16H23N3OS — CID 110717869

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
SMILESNc1nc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H23N3OS/c17-15-19-13(9-21-15)1-2-18-14(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,1-8H2,(H2,17,19)(H,18,20)
InChIKeyHATRUYKTTVVKAJ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.60
Rot. Bonds4

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

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110717869) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
PubChem CID110717869
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
SMILESNc1nc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H23N3OS/c17-15-19-13(9-21-15)1-2-18-14(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,1-8H2,(H2,17,19)(H,18,20)
InChIKeyHATRUYKTTVVKAJ-UHFFFAOYSA-N
XLogP2.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide
CID 110397924
N-[2-(1,3-oxazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110721981
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110317818
N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62799816
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
CID 91785606
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
N-[2-(1-benzothiophen-3-yl)ethyl]adamantane-1-carboxamide
CID 112836999
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110739344
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide (CID 110717869) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide is Nc1nc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is HATRUYKTTVVKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c17-15-19-13(9-21-15)1-2-18-14(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,1-8H2,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110717869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).