N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide

C19H26N2OS — CID 118726229

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCCC1
InChIInChI=1S/C19H26N2OS/c22-17(15-3-1-2-4-15)21-18-20-16(11-23-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,1-10H2,(H,20,21,22)
InChIKeyYIQSVBXVCLAYOX-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.74
Rot. Bonds3

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide (PubChem CID 118726229) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
PubChem CID118726229
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
SMILESO=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCCC1
InChIInChI=1S/C19H26N2OS/c22-17(15-3-1-2-4-15)21-18-20-16(11-23-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,1-10H2,(H,20,21,22)
InChIKeyYIQSVBXVCLAYOX-UHFFFAOYSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-methyl-oxalamide
CID 2870842
N-(4-methyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 4140053
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 857960
3-(2-acetylhydrazino)-N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-oxopropanamide
CID 4457332
N-[4-(1-adamantyl)thiazol-2-yl]-3-cyclohexyl-propanamide
CID 23761567
N-[4-(1-adamantyl)thiazol-2-yl]cyclohexanecarboxamide
CID 24102945
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 1441341
N-[4-(1-adamantyl)thiazol-2-yl]-2-methyl-propanamide
CID 24575844
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide
CID 42597776
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 42597777
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 42598015
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 42598016

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide (CID 118726229) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide is O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)C1CCCC1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
The InChIKey is YIQSVBXVCLAYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c22-17(15-3-1-2-4-15)21-18-20-16(11-23-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,1-10H2,(H,20,21,22).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide has a molecular weight of 330.50 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 118726229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).