3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide

C10H16N4OS — CID 103953978

IUPAC3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(Cc1cncs1)C1CC1)=NO
InChIInChI=1S/C10H16N4OS/c11-10(13-15)3-4-14(8-1-2-8)6-9-5-12-7-16-9/h5,7-8,15H,1-4,6H2,(H2,11,13)
InChIKeyPRPQTKZCCQOGJC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.24
Rot. Bonds6

About 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 103953978) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide
PubChem CID103953978
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide
SMILESNC(CCN(Cc1cncs1)C1CC1)=NO
InChIInChI=1S/C10H16N4OS/c11-10(13-15)3-4-14(8-1-2-8)6-9-5-12-7-16-9/h5,7-8,15H,1-4,6H2,(H2,11,13)
InChIKeyPRPQTKZCCQOGJC-UHFFFAOYSA-N
XLogP1.24
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide (CID 103953978) is 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide is NC(CCN(Cc1cncs1)C1CC1)=NO.
What is the InChIKey of 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is PRPQTKZCCQOGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-10(13-15)3-4-14(8-1-2-8)6-9-5-12-7-16-9/h5,7-8,15H,1-4,6H2,(H2,11,13).
What are the key properties of 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 240.33 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 103953978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).