N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide

C8H11N3O2S — CID 110467918

IUPACN-(3-formamidopropyl)-1,3-thiazole-2-carboxamide
SMILESO=CNCCCNC(=O)c1nccs1
InChIInChI=1S/C8H11N3O2S/c12-6-9-2-1-3-10-7(13)8-11-4-5-14-8/h4-6H,1-3H2,(H,9,12)(H,10,13)
InChIKeyOHBMLUUXFMKZPG-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.01
Rot. Bonds6

About N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide

N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide (PubChem CID 110467918) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-1,3-thiazole-2-carboxamide
PubChem CID110467918
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-(3-formamidopropyl)-1,3-thiazole-2-carboxamide
SMILESO=CNCCCNC(=O)c1nccs1
InChIInChI=1S/C8H11N3O2S/c12-6-9-2-1-3-10-7(13)8-11-4-5-14-8/h4-6H,1-3H2,(H,9,12)(H,10,13)
InChIKeyOHBMLUUXFMKZPG-UHFFFAOYSA-N
XLogP0.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
N-(4-cyclohexylbutyl)-1,3-thiazole-2-carboxamide
CID 142955503
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-1,3-thiazole-2-carboxamide
CID 122190961
2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
CID 67154487
N-(3-formamidopropyl)-2H-triazole-4-carboxamide
CID 110475421
N-[2-(2,4-dichlorophenyl)ethyl]-1,3-thiazole-2-carboxamide
CID 110695986
N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
CID 91094529
CID 69459233
CID 69459233
2-chloro-1-(1,3-thiazol-2-yl)ethanone
CID 22498777
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide (CID 110467918) is N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide is O=CNCCCNC(=O)c1nccs1.
What is the InChIKey of N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is OHBMLUUXFMKZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-6-9-2-1-3-10-7(13)8-11-4-5-14-8/h4-6H,1-3H2,(H,9,12)(H,10,13).
What are the key properties of N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide?
N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110467918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).