N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide

C16H23N3OS — CID 66373028

IUPACN-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H23N3OS/c17-2-1-14-18-13(9-21-14)15(20)19-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,1-8,17H2,(H,19,20)
InChIKeySDXNKSNBIHOQLY-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.34
Rot. Bonds4

About N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide

N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66373028) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
PubChem CID66373028
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H23N3OS/c17-2-1-14-18-13(9-21-14)15(20)19-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,1-8,17H2,(H,19,20)
InChIKeySDXNKSNBIHOQLY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide
CID 5177534
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 66388619
2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647122
2-(2-aminoethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638436
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
CID 120625314
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66390582

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide (CID 66373028) is N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SDXNKSNBIHOQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c17-2-1-14-18-13(9-21-14)15(20)19-16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,1-8,17H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide?
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66373028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).