N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide

C10H16N4OS — CID 104874274

IUPACN'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCc2cncs2)CC1)=NO
InChIInChI=1S/C10H16N4OS/c11-9(14-15)3-10(1-2-10)6-12-4-8-5-13-7-16-8/h5,7,12,15H,1-4,6H2,(H2,11,14)
InChIKeyKCZKQRLYSVGZSD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.15
Rot. Bonds6

About N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 104874274) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID104874274
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNCc2cncs2)CC1)=NO
InChIInChI=1S/C10H16N4OS/c11-9(14-15)3-10(1-2-10)6-12-4-8-5-13-7-16-8/h5,7,12,15H,1-4,6H2,(H2,11,14)
InChIKeyKCZKQRLYSVGZSD-UHFFFAOYSA-N
XLogP1.15
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-[1-[[(5-bromothiophen-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071211
2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733110
N'-hydroxy-2-[1-[(1,2-oxazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide
CID 106418436
N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732724
N'-hydroxy-2-[1-[(2,2,2-trifluoroethylamino)methyl]cyclopropyl]ethanimidamide
CID 77071831
2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 112670057
2-[1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070910
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
N'-(1,3-thiazol-5-ylmethyl)propane-1,3-diamine
CID 62759074
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide (CID 104874274) is N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide is NC(CC1(CNCc2cncs2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is KCZKQRLYSVGZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-9(14-15)3-10(1-2-10)6-12-4-8-5-13-7-16-8/h5,7,12,15H,1-4,6H2,(H2,11,14).
What are the key properties of N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 240.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 104874274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).