4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine

C15H17ClN2O2S — CID 62081862

IUPAC4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2cc(Cl)c3c(c2)OCCCO3)c(N)s1
InChIInChI=1S/C15H17ClN2O2S/c1-2-4-12-18-13(15(17)21-12)9-7-10(16)14-11(8-9)19-5-3-6-20-14/h7-8H,2-6,17H2,1H3
InChIKeyYAIQQYWUHJSREQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.16
Rot. Bonds3

About 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine

4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine (PubChem CID 62081862) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine
PubChem CID62081862
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine
SMILESCCCc1nc(-c2cc(Cl)c3c(c2)OCCCO3)c(N)s1
InChIInChI=1S/C15H17ClN2O2S/c1-2-4-12-18-13(15(17)21-12)9-7-10(16)14-11(8-9)19-5-3-6-20-14/h7-8H,2-6,17H2,1H3
InChIKeyYAIQQYWUHJSREQ-UHFFFAOYSA-N
XLogP4.16
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine with MolForge

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Related Compounds

4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine
CID 62506926
4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylimidazole-1,5-diamine
CID 62483384
3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2,4-thiadiazol-5-amine
CID 43556090
1-[3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-yl]ethanamine
CID 114420256
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamine
CID 43143769
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61282663
4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 62507933
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole-2,5-diamine
CID 82342225
4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
CID 62122450
10-chloro-8-propyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668414
4-(3-bromo-4-fluorophenyl)-2-propyl-1,3-thiazol-5-amine
CID 62083253
4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonylmethyl]-2-propyl-1,3-thiazole
CID 86989623

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine (CID 62081862) is 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine is CCCc1nc(-c2cc(Cl)c3c(c2)OCCCO3)c(N)s1.
What is the InChIKey of 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine?
The InChIKey is YAIQQYWUHJSREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-4-12-18-13(15(17)21-12)9-7-10(16)14-11(8-9)19-5-3-6-20-14/h7-8H,2-6,17H2,1H3.
What are the key properties of 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine?
4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine has a molecular weight of 324.83 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62081862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).