N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C15H18N4OS — CID 115281590

IUPACN-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCCc3c(N)cccc32)cs1
InChIInChI=1S/C15H18N4OS/c1-10(20)17-15-18-11(9-21-15)8-19-7-3-4-12-13(16)5-2-6-14(12)19/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,18,20)
InChIKeyUTGJXFUSJBMVNE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.64
Rot. Bonds3

About N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 115281590) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID115281590
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCCc3c(N)cccc32)cs1
InChIInChI=1S/C15H18N4OS/c1-10(20)17-15-18-11(9-21-15)8-19-7-3-4-12-13(16)5-2-6-14(12)19/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,18,20)
InChIKeyUTGJXFUSJBMVNE-UHFFFAOYSA-N
XLogP2.64
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 115281581
(2S)-4-[(2-acetamido-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 40797494
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 55108301
N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
CID 120751341
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 115777489
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338
N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971888
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 54881503

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 115281590) is N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCCc3c(N)cccc32)cs1.
What is the InChIKey of N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is UTGJXFUSJBMVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10(20)17-15-18-11(9-21-15)8-19-7-3-4-12-13(16)5-2-6-14(12)19/h2,5-6,9H,3-4,7-8,16H2,1H3,(H,17,18,20).
What are the key properties of N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 302.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 115281590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).