N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C16H25N3OS — CID 66469799

IUPACN-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCCC(NC(=O)C1CCC2CCCCC2N1)c1nccs1
InChIInChI=1S/C16H25N3OS/c1-2-12(16-17-9-10-21-16)19-15(20)14-8-7-11-5-3-4-6-13(11)18-14/h9-14,18H,2-8H2,1H3,(H,19,20)
InChIKeyXNGBYQVKKQIXPH-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.02
Rot. Bonds4

About N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66469799) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66469799
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCCC(NC(=O)C1CCC2CCCCC2N1)c1nccs1
InChIInChI=1S/C16H25N3OS/c1-2-12(16-17-9-10-21-16)19-15(20)14-8-7-11-5-3-4-6-13(11)18-14/h9-14,18H,2-8H2,1H3,(H,19,20)
InChIKeyXNGBYQVKKQIXPH-UHFFFAOYSA-N
XLogP3.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 79384523
(2S,4S)-2-methyl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide;hydrochloride
CID 120637143
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127
N-[1-(1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79354273
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815807
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
3-[(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)methyl]pentanoic acid
CID 81065341

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66469799) is N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is CCC(NC(=O)C1CCC2CCCCC2N1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is XNGBYQVKKQIXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-2-12(16-17-9-10-21-16)19-15(20)14-8-7-11-5-3-4-6-13(11)18-14/h9-14,18H,2-8H2,1H3,(H,19,20).
What are the key properties of N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)propyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66469799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).