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

C10H18N4OS — CID 77031825

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide
SMILESCc1nc(C)c(C(C)NCCC(N)=NO)s1
InChIInChI=1S/C10H18N4OS/c1-6(12-5-4-9(11)14-15)10-7(2)13-8(3)16-10/h6,12,15H,4-5H2,1-3H3,(H2,11,14)
InChIKeyGTBMSCFNBXNASO-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.55
Rot. Bonds5

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

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77031825) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide
PubChem CID77031825
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide
SMILESCc1nc(C)c(C(C)NCCC(N)=NO)s1
InChIInChI=1S/C10H18N4OS/c1-6(12-5-4-9(11)14-15)10-7(2)13-8(3)16-10/h6,12,15H,4-5H2,1-3H3,(H2,11,14)
InChIKeyGTBMSCFNBXNASO-UHFFFAOYSA-N
XLogP1.55
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide (CID 77031825) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide is Cc1nc(C)c(C(C)NCCC(N)=NO)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is GTBMSCFNBXNASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-6(12-5-4-9(11)14-15)10-7(2)13-8(3)16-10/h6,12,15H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 242.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 77031825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).