[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H18N4OS — CID 116668339

IUPAC[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCCNc1nc(N)c(C(=O)N2CCc3ccccc3C2)s1
InChIInChI=1S/C15H18N4OS/c1-2-17-15-18-13(16)12(21-15)14(20)19-8-7-10-5-3-4-6-11(10)9-19/h3-6H,2,7-9,16H2,1H3,(H,17,18)
InChIKeyTUNVEBTZASYACX-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.36
Rot. Bonds3

About [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 116668339) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID116668339
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCCNc1nc(N)c(C(=O)N2CCc3ccccc3C2)s1
InChIInChI=1S/C15H18N4OS/c1-2-17-15-18-13(16)12(21-15)14(20)19-8-7-10-5-3-4-6-11(10)9-19/h3-6H,2,7-9,16H2,1H3,(H,17,18)
InChIKeyTUNVEBTZASYACX-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114414582
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114414561
3,4-dihydro-1H-isoquinolin-2-yl-[6-(ethylamino)-2-pyridinyl]methanone
CID 62238754
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 116662886
[4-amino-2-(propylamino)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106317405
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
1-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897012
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]methanone
CID 116671227
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 116672250
3,4-dihydro-1H-isoquinolin-2-yl-(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)methanone
CID 3245021

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 116668339) is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is CCNc1nc(N)c(C(=O)N2CCc3ccccc3C2)s1.
What is the InChIKey of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is TUNVEBTZASYACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-17-15-18-13(16)12(21-15)14(20)19-8-7-10-5-3-4-6-11(10)9-19/h3-6H,2,7-9,16H2,1H3,(H,17,18).
What are the key properties of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 116668339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).