3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C11H20N4O2S — CID 65169157

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CC/C(N)=N/O)c1nc(C)c(C)s1
InChIInChI=1S/C11H20N4O2S/c1-8-9(2)18-11(13-8)15(6-7-17-3)5-4-10(12)14-16/h16H,4-7H2,1-3H3,(H2,12,14)
InChIKeyQHPBHFCZFUMMCZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.35
Rot. Bonds7

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 65169157) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID65169157
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CC/C(N)=N/O)c1nc(C)c(C)s1
InChIInChI=1S/C11H20N4O2S/c1-8-9(2)18-11(13-8)15(6-7-17-3)5-4-10(12)14-16/h16H,4-7H2,1-3H3,(H2,12,14)
InChIKeyQHPBHFCZFUMMCZ-UHFFFAOYSA-N
XLogP1.35
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(4,5-Dimethyl-1,3-thiazol-2-yl)morpholine
CID 23076518
3-[(3-Amino-3-oxopropyl)-(4,5-dimethyl-1,3-thiazol-2-yl)amino]propanamide
CID 1841307
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)-methylamino]ethanol
CID 10081138
N-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 57674689
4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 65169426
5-(aminomethyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
CID 123630313
4,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;ethane
CID 142273119
4-(4,5-Dimethyl-1,3-thiazol-2-yl)morpholine;ethane
CID 143922284
(NE)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylidene]hydroxylamine
CID 55027857
N-butan-2-yl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 55117313
N-ethyl-N-(1-methoxypropan-2-yl)-4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55117323
5-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 55117419

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 65169157) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CC/C(N)=N/O)c1nc(C)c(C)s1.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is QHPBHFCZFUMMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-9(2)18-11(13-8)15(6-7-17-3)5-4-10(12)14-16/h16H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 272.37 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 65169157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).