azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride

C18H26ClN3OS — CID 142037372

IUPACazane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride
SMILESCl.N.c1ccc2c(c1)OCCc1sc(NCC3CCCCC3)nc1-2
InChIInChI=1S/C18H22N2OS.ClH.H3N/c1-2-6-13(7-3-1)12-19-18-20-17-14-8-4-5-9-15(14)21-11-10-16(17)22-18;;/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,19,20);1H;1H3
InChIKeyMVJHHYZEMNZBNQ-UHFFFAOYSA-N
MW367.95 g/mol
LogP5.32
Rot. Bonds3

About azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride

azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride (PubChem CID 142037372) has the molecular formula C18H26ClN3OS and a molecular weight of 367.95 g/mol. Its IUPAC name is azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Nameazane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride
PubChem CID142037372
Molecular FormulaC18H26ClN3OS
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC Nameazane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride
SMILESCl.N.c1ccc2c(c1)OCCc1sc(NCC3CCCCC3)nc1-2
InChIInChI=1S/C18H22N2OS.ClH.H3N/c1-2-6-13(7-3-1)12-19-18-20-17-14-8-4-5-9-15(14)21-11-10-16(17)22-18;;/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,19,20);1H;1H3
InChIKeyMVJHHYZEMNZBNQ-UHFFFAOYSA-N
XLogP5.32
TPSA69.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.95
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine
CID 20651582
2-ethoxy-1-[4-[[(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 10159053
2-(1H-1,2,4-triazol-5-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole
CID 140539966
2-[[4-[(dimethylsulfamoylamino)methyl]cyclohexyl]methylamino]-4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazole;ethane
CID 91079115
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid
CID 87833982
8-bromo-N-tert-butyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine
CID 87254055
2-[(8-bromo-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]-2-methylpropan-1-ol
CID 58204262
2-N-(8-bromo-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)-2-methylpropane-1,2-diamine;hydrobromide
CID 86652327
2-(triazol-1-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole
CID 140539964
N-(oxan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 47292416
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237

Frequently Asked Questions

What is the IUPAC name of azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride?
The IUPAC name of azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride (CID 142037372) is azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride.
What is the SMILES notation for azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride?
The canonical SMILES for azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride is Cl.N.c1ccc2c(c1)OCCc1sc(NCC3CCCCC3)nc1-2.
What is the InChIKey of azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride?
The InChIKey is MVJHHYZEMNZBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS.ClH.H3N/c1-2-6-13(7-3-1)12-19-18-20-17-14-8-4-5-9-15(14)21-11-10-16(17)22-18;;/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,19,20);1H;1H3.
What are the key properties of azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride?
azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride has a molecular weight of 367.95 g/mol, XLogP of 5.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(cyclohexylmethyl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-amine;hydrochloride is sourced from PubChem (CID 142037372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).