2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide

C12H19N5O3S — CID 71965716

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide
SMILESNc1nc(C(=NO)C(=O)NCCCN2CCOCC2)cs1
InChIInChI=1S/C12H19N5O3S/c13-12-15-9(8-21-12)10(16-19)11(18)14-2-1-3-17-4-6-20-7-5-17/h8,19H,1-7H2,(H2,13,15)(H,14,18)
InChIKeyVUVLHTSSXAZTLK-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.26
Rot. Bonds6

About 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 71965716) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID71965716
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide
SMILESNc1nc(C(=NO)C(=O)NCCCN2CCOCC2)cs1
InChIInChI=1S/C12H19N5O3S/c13-12-15-9(8-21-12)10(16-19)11(18)14-2-1-3-17-4-6-20-7-5-17/h8,19H,1-7H2,(H2,13,15)(H,14,18)
InChIKeyVUVLHTSSXAZTLK-UHFFFAOYSA-N
XLogP-0.26
TPSA113.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-amino-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 62787661
2-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl](15N)amino]acetic acid
CID 172922622
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-N-[2-(diethylamino)ethyl]-2-hydroxyiminoacetamide
CID 40690239
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(oxolan-2-ylmethyl)acetamide
CID 71965749
2-bromo-N-[(Z)-1-(3-morpholin-4-ylpropylamino)-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide
CID 170541836
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 54902131
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide (CID 71965716) is 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide is Nc1nc(C(=NO)C(=O)NCCCN2CCOCC2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is VUVLHTSSXAZTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c13-12-15-9(8-21-12)10(16-19)11(18)14-2-1-3-17-4-6-20-7-5-17/h8,19H,1-7H2,(H2,13,15)(H,14,18).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 313.38 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 71965716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).