[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

C14H15N3O3S — CID 126496423

IUPAC[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCCNc1nc(N)c(C(=O)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C14H15N3O3S/c1-2-16-14-17-13(15)12(21-14)11(18)8-3-4-9-10(7-8)20-6-5-19-9/h3-4,7H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyFZTGMOPUXHIUGX-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.16
Rot. Bonds4

About [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (PubChem CID 126496423) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
PubChem CID126496423
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
SMILESCCNc1nc(N)c(C(=O)c2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C14H15N3O3S/c1-2-16-14-17-13(15)12(21-14)11(18)8-3-4-9-10(7-8)20-6-5-19-9/h3-4,7H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyFZTGMOPUXHIUGX-UHFFFAOYSA-N
XLogP2.16
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone with MolForge

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Related Compounds

[4-amino-2-[[2-(2-methylbutyl)cyclopentyl]amino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 126496426
[4-amino-2-[4-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]anilino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;propane
CID 143125209
[4-amino-2-[4-[4-(1-hydroxyethyl)piperazin-1-yl]anilino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;methane
CID 142153960
(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)-(1,3-benzodioxol-5-yl)methanone
CID 126496551
[4-amino-2-[4-(4-morpholin-4-ylpiperidin-1-yl)anilino]-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 11613326
[4-amino-2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-1,3-thiazol-5-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone;N-[2-[[(2S)-2-bicyclo[2.2.1]heptanyl]amino]-5-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-thiazol-4-yl]acetamide
CID 145236750
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
CID 10296815
1-[4-[4-[[4-amino-5-(1,3-benzodioxole-5-carbonyl)-1,3-thiazol-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 10183365
[4-amino-2-[4-[2-(propan-2-ylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
CID 22641046
(2-anilino-4-methyl-1,3-thiazol-5-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 2814833
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(1,3-benzothiazol-2-yl)methanone
CID 46901375
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-propylthiadiazol-5-yl)methanone
CID 105096105

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone (CID 126496423) is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone.
What is the SMILES notation for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The canonical SMILES for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is CCNc1nc(N)c(C(=O)c2ccc3c(c2)OCCO3)s1.
What is the InChIKey of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
The InChIKey is FZTGMOPUXHIUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-16-14-17-13(15)12(21-14)11(18)8-3-4-9-10(7-8)20-6-5-19-9/h3-4,7H,2,5-6,15H2,1H3,(H,16,17).
What are the key properties of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone?
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone has a molecular weight of 305.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone is sourced from PubChem (CID 126496423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).