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

C19H29N3OS — CID 5177534

IUPACN-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H29N3OS/c1-2-3-4-15(20)18-21-16(11-24-18)17(23)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,2-10,20H2,1H3,(H,22,23)
InChIKeyKCAWGDYKGFGDHQ-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.03
Rot. Bonds6

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

N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide (PubChem CID 5177534) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide
PubChem CID5177534
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC NameN-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide
SMILESCCCCC(N)c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H29N3OS/c1-2-3-4-15(20)18-21-16(11-24-18)17(23)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,2-10,20H2,1H3,(H,22,23)
InChIKeyKCAWGDYKGFGDHQ-UHFFFAOYSA-N
XLogP4.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028
2-(1-aminopentyl)-N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 5000241
2-(1-aminobutyl)-N-(3-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 3734938
N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67480762
[2-(1-aminopentyl)-1,3-thiazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 3746469
N-(1-adamantyl)-5-hexan-2-yl-4-phenyl-1,3-thiazole-2-carboxamide
CID 11560872
2-(1-aminobutyl)-N-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3790285
N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84577194
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
2-(1-aminobutyl)-N-[(3-iodophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3489528
2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
N-(1-adamantyl)-3,4-dipentoxybenzamide
CID 44759498

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide (CID 5177534) is N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide is CCCCC(N)c1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KCAWGDYKGFGDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-2-3-4-15(20)18-21-16(11-24-18)17(23)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h11-15H,2-10,20H2,1H3,(H,22,23).
What are the key properties of N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide?
N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide has a molecular weight of 347.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5177534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).