N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide

C14H18N4OS — CID 77043906

IUPACN'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
SMILESCc1csc(CNCC(C(N)=NO)c2ccccc2)n1
InChIInChI=1S/C14H18N4OS/c1-10-9-20-13(17-10)8-16-7-12(14(15)18-19)11-5-3-2-4-6-11/h2-6,9,12,16,19H,7-8H2,1H3,(H2,15,18)
InChIKeyJJNFJGNVHPPRNR-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.07
Rot. Bonds6

About N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide

N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide (PubChem CID 77043906) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
PubChem CID77043906
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide
SMILESCc1csc(CNCC(C(N)=NO)c2ccccc2)n1
InChIInChI=1S/C14H18N4OS/c1-10-9-20-13(17-10)8-16-7-12(14(15)18-19)11-5-3-2-4-6-11/h2-6,9,12,16,19H,7-8H2,1H3,(H2,15,18)
InChIKeyJJNFJGNVHPPRNR-UHFFFAOYSA-N
XLogP2.07
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.07
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'}

Analyze N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[(6-methyl-2-pyridinyl)methylamino]-2-phenylpropanimidamide
CID 77043610
N,N-diethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylethane-1,2-diamine
CID 78992240
N'-hydroxy-3-[(3-methylphenyl)methylamino]-2-phenylpropanimidamide
CID 77044102
1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutane-1,2-diamine
CID 114929622
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
3-[(4-bromophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043527
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
N'-hydroxy-2-phenyl-3-(pyridin-3-ylmethylamino)propanimidamide
CID 77043764
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide (CID 77043906) is N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide is Cc1csc(CNCC(C(N)=NO)c2ccccc2)n1.
What is the InChIKey of N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide?
The InChIKey is JJNFJGNVHPPRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-9-20-13(17-10)8-16-7-12(14(15)18-19)11-5-3-2-4-6-11/h2-6,9,12,16,19H,7-8H2,1H3,(H2,15,18).
What are the key properties of N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide has a molecular weight of 290.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-phenylpropanimidamide is sourced from PubChem (CID 77043906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).