2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide

C18H23N3OS — CID 39071425

IUPAC2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccccc2)c(C(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C18H23N3OS/c19-18-21-15(13-9-5-4-6-10-13)16(23-18)17(22)20-14-11-7-2-1-3-8-12-14/h4-6,9-10,14H,1-3,7-8,11-12H2,(H2,19,21)(H,20,22)
InChIKeyIHKXUJDUEVMYOZ-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.24
Rot. Bonds3

About 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide

2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39071425) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39071425
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccccc2)c(C(=O)NC2CCCCCCC2)s1
InChIInChI=1S/C18H23N3OS/c19-18-21-15(13-9-5-4-6-10-13)16(23-18)17(22)20-14-11-7-2-1-3-8-12-14/h4-6,9-10,14H,1-3,7-8,11-12H2,(H2,19,21)(H,20,22)
InChIKeyIHKXUJDUEVMYOZ-UHFFFAOYSA-N
XLogP4.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704
4-amino-N-cyclopentyl-3-phenyl-1,2-thiazole-5-carboxamide
CID 53335704
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 155963732
N-cyclohexyl-5,6-diphenylpyrazine-2-carboxamide
CID 10150172
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
methyl 2-amino-4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-5-carboxylate
CID 86616445
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 82035057
N-cyclohexyl-2,4-diphenyl-1,3-oxazole-5-carboxamide
CID 15090685
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 82035056

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 39071425) is 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide is Nc1nc(-c2ccccc2)c(C(=O)NC2CCCCCCC2)s1.
What is the InChIKey of 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is IHKXUJDUEVMYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c19-18-21-15(13-9-5-4-6-10-13)16(23-18)17(22)20-14-11-7-2-1-3-8-12-14/h4-6,9-10,14H,1-3,7-8,11-12H2,(H2,19,21)(H,20,22).
What are the key properties of 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39071425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).