N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide

C12H17N5O2S — CID 80590607

IUPACN'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide
SMILESN/C(=N/O)C1(C(=O)N2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C12H17N5O2S/c13-9(15-19)12(1-2-12)10(18)16-4-6-17(7-5-16)11-14-3-8-20-11/h3,8,19H,1-2,4-7H2,(H2,13,15)
InChIKeyIHHMFONKMHFGJF-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.32
Rot. Bonds3

About N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide

N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide (PubChem CID 80590607) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide
PubChem CID80590607
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide
SMILESN/C(=N/O)C1(C(=O)N2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C12H17N5O2S/c13-9(15-19)12(1-2-12)10(18)16-4-6-17(7-5-16)11-14-3-8-20-11/h3,8,19H,1-2,4-7H2,(H2,13,15)
InChIKeyIHHMFONKMHFGJF-UHFFFAOYSA-N
XLogP0.32
TPSA95.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.32
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

(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
N'-hydroxy-2,2-dimethyl-3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
CID 76919935
(1-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 34004993
N'-hydroxy-2-methyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanimidamide
CID 77012304
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
4-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]oxane-4-carboxamide
CID 111069180
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
[(1R,4S)-3,3-dimethyl-2-methylidene-1-bicyclo[2.2.1]heptanyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 98138309

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide (CID 80590607) is N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide is N/C(=N/O)C1(C(=O)N2CCN(c3nccs3)CC2)CC1.
What is the InChIKey of N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide?
The InChIKey is IHHMFONKMHFGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c13-9(15-19)12(1-2-12)10(18)16-4-6-17(7-5-16)11-14-3-8-20-11/h3,8,19H,1-2,4-7H2,(H2,13,15).
What are the key properties of N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide?
N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide has a molecular weight of 295.37 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]cyclopropane-1-carboximidamide is sourced from PubChem (CID 80590607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).