N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide

C7H10N4O2S — CID 76982242

IUPACN-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
SMILESNC(CCNC(=O)c1cscn1)=NO
InChIInChI=1S/C7H10N4O2S/c8-6(11-13)1-2-9-7(12)5-3-14-4-10-5/h3-4,13H,1-2H2,(H2,8,11)(H,9,12)
InChIKeyNADPDFZQZFSLPW-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.01
Rot. Bonds4

About N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide (PubChem CID 76982242) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
PubChem CID76982242
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
SMILESNC(CCNC(=O)c1cscn1)=NO
InChIInChI=1S/C7H10N4O2S/c8-6(11-13)1-2-9-7(12)5-3-14-4-10-5/h3-4,13H,1-2H2,(H2,8,11)(H,9,12)
InChIKeyNADPDFZQZFSLPW-UHFFFAOYSA-N
XLogP0.01
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.01
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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Related Compounds

2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
3-[2-(1,3-thiazole-4-carbonylamino)ethylsulfanyl]propanoic acid
CID 115731587
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methylpyrazole-3-carboxamide
CID 103121464
N-(4-amino-4-hydroxyiminobutyl)pyrazine-2-carboxamide
CID 76953270

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide (CID 76982242) is N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide is NC(CCNC(=O)c1cscn1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NADPDFZQZFSLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c8-6(11-13)1-2-9-7(12)5-3-14-4-10-5/h3-4,13H,1-2H2,(H2,8,11)(H,9,12).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 214.25 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 76982242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).