N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide

C16H23N3OS — CID 62799816

IUPACN-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
SMILESNc1nc(CC(=O)NCC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H23N3OS/c17-15-19-13(8-21-15)4-14(20)18-9-16-5-10-1-11(6-16)3-12(2-10)7-16/h8,10-12H,1-7,9H2,(H2,17,19)(H,18,20)
InChIKeyNAOMSZBOBFPWLG-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.60
Rot. Bonds4

About N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide

N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide (PubChem CID 62799816) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
PubChem CID62799816
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
SMILESNc1nc(CC(=O)NCC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C16H23N3OS/c17-15-19-13(8-21-15)4-14(20)18-9-16-5-10-1-11(6-16)3-12(2-10)7-16/h8,10-12H,1-7,9H2,(H2,17,19)(H,18,20)
InChIKeyNAOMSZBOBFPWLG-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

2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103966699
N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 17494218
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717869
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-ethylcyclohexyl)methyl]acetamide
CID 62799282
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-cyclopropylpropanamide
CID 79401067
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026146
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide
CID 62797681
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
CID 55120129
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide (CID 62799816) is N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide is Nc1nc(CC(=O)NCC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide?
The InChIKey is NAOMSZBOBFPWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c17-15-19-13(8-21-15)4-14(20)18-9-16-5-10-1-11(6-16)3-12(2-10)7-16/h8,10-12H,1-7,9H2,(H2,17,19)(H,18,20).
What are the key properties of N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide?
N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide 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-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 62799816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).