N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride

C12H22ClN5O3S — CID 162082598

IUPACN-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride
SMILESCC(=NO)C(NC(C)C)Oc1nsnc1N1CCOCC1.Cl
InChIInChI=1S/C12H21N5O3S.ClH/c1-8(2)13-11(9(3)14-18)20-12-10(15-21-16-12)17-4-6-19-7-5-17;/h8,11,13,18H,4-7H2,1-3H3;1H
InChIKeyWCVOZLNTUCLBMS-UHFFFAOYSA-N
MW351.86 g/mol
LogP1.35
Rot. Bonds6

About N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride

N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride (PubChem CID 162082598) has the molecular formula C12H22ClN5O3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride
PubChem CID162082598
Molecular FormulaC12H22ClN5O3S
Molecular Weight351.86 g/mol
Exact Mass351.11
IUPAC NameN-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride
SMILESCC(=NO)C(NC(C)C)Oc1nsnc1N1CCOCC1.Cl
InChIInChI=1S/C12H21N5O3S.ClH/c1-8(2)13-11(9(3)14-18)20-12-10(15-21-16-12)17-4-6-19-7-5-17;/h8,11,13,18H,4-7H2,1-3H3;1H
InChIKeyWCVOZLNTUCLBMS-UHFFFAOYSA-N
XLogP1.35
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzhydryloxy-1,2,5-thiadiazol-3-yl)morpholine
CID 43949546
methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
CID 666373
(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 76968009
1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 18984519
(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 11448848
(1S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-1-ol
CID 122538515
N-[2,3-bis[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]-2-methylpropan-2-amine;but-2-enedioic acid
CID 171370713
(2R)-2-deuterio-1-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 52917136
2-methyl-N-[(2R)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
CID 126710401
4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine
CID 156768683
N-tert-butyl-2-methyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propyl]propan-2-amine
CID 153317924
ethyl 2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]butanoate
CID 43949492

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride (CID 162082598) is N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride is CC(=NO)C(NC(C)C)Oc1nsnc1N1CCOCC1.Cl.
What is the InChIKey of N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride?
The InChIKey is WCVOZLNTUCLBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S.ClH/c1-8(2)13-11(9(3)14-18)20-12-10(15-21-16-12)17-4-6-19-7-5-17;/h8,11,13,18H,4-7H2,1-3H3;1H.
What are the key properties of N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride?
N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride has a molecular weight of 351.86 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-(propan-2-ylamino)propan-2-ylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 162082598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).