7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide

C18H22N4OS — CID 167803488

IUPAC7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide
SMILESNC1CCC2(CC1)CC(C(=O)Nc1nc(-c3ccccn3)cs1)C2
InChIInChI=1S/C18H22N4OS/c19-13-4-6-18(7-5-13)9-12(10-18)16(23)22-17-21-15(11-24-17)14-3-1-2-8-20-14/h1-3,8,11-13H,4-7,9-10,19H2,(H,21,22,23)
InChIKeyLKEQFVLYFVKXLS-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.44
Rot. Bonds3

About 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide

7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide (PubChem CID 167803488) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide
PubChem CID167803488
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide
SMILESNC1CCC2(CC1)CC(C(=O)Nc1nc(-c3ccccn3)cs1)C2
InChIInChI=1S/C18H22N4OS/c19-13-4-6-18(7-5-13)9-12(10-18)16(23)22-17-21-15(11-24-17)14-3-1-2-8-20-14/h1-3,8,11-13H,4-7,9-10,19H2,(H,21,22,23)
InChIKeyLKEQFVLYFVKXLS-UHFFFAOYSA-N
XLogP3.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 75357028
6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573672
1-cyano-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 86910120
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 55339409
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78843116
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 51154195
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
(2S)-1-(furan-2-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55937479
2,3,4-trifluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108744422
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide?
The IUPAC name of 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide (CID 167803488) is 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide is NC1CCC2(CC1)CC(C(=O)Nc1nc(-c3ccccn3)cs1)C2.
What is the InChIKey of 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide?
The InChIKey is LKEQFVLYFVKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c19-13-4-6-18(7-5-13)9-12(10-18)16(23)22-17-21-15(11-24-17)14-3-1-2-8-20-14/h1-3,8,11-13H,4-7,9-10,19H2,(H,21,22,23).
What are the key properties of 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide?
7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)spiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 167803488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).