N-butyl-1,3-thiazole-4-carboxamide;ethane

C10H18N2OS — CID 176555037

IUPACN-butyl-1,3-thiazole-4-carboxamide;ethane
SMILESCC.CCCCNC(=O)c1cscn1
InChIInChI=1S/C8H12N2OS.C2H6/c1-2-3-4-9-8(11)7-5-12-6-10-7;1-2/h5-6H,2-4H2,1H3,(H,9,11);1-2H3
InChIKeyFCFSRJHOMYKHOW-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.70
Rot. Bonds4

About N-butyl-1,3-thiazole-4-carboxamide;ethane

N-butyl-1,3-thiazole-4-carboxamide;ethane (PubChem CID 176555037) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-butyl-1,3-thiazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN-butyl-1,3-thiazole-4-carboxamide;ethane
PubChem CID176555037
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-butyl-1,3-thiazole-4-carboxamide;ethane
SMILESCC.CCCCNC(=O)c1cscn1
InChIInChI=1S/C8H12N2OS.C2H6/c1-2-3-4-9-8(11)7-5-12-6-10-7;1-2/h5-6H,2-4H2,1H3,(H,9,11);1-2H3
InChIKeyFCFSRJHOMYKHOW-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
N-[2-[ethyl(propyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103719294
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 110462196
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N'-ethyl-N'-methyl-1,3-thiazole-4-carbohydrazide
CID 130734598
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
4-[3-(1,3-thiazole-4-carbonylamino)propyl]benzenesulfonyl chloride
CID 63024069

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,3-thiazole-4-carboxamide;ethane?
The IUPAC name of N-butyl-1,3-thiazole-4-carboxamide;ethane (CID 176555037) is N-butyl-1,3-thiazole-4-carboxamide;ethane.
What is the SMILES notation for N-butyl-1,3-thiazole-4-carboxamide;ethane?
The canonical SMILES for N-butyl-1,3-thiazole-4-carboxamide;ethane is CC.CCCCNC(=O)c1cscn1.
What is the InChIKey of N-butyl-1,3-thiazole-4-carboxamide;ethane?
The InChIKey is FCFSRJHOMYKHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS.C2H6/c1-2-3-4-9-8(11)7-5-12-6-10-7;1-2/h5-6H,2-4H2,1H3,(H,9,11);1-2H3.
What are the key properties of N-butyl-1,3-thiazole-4-carboxamide;ethane?
N-butyl-1,3-thiazole-4-carboxamide;ethane has a molecular weight of 214.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,3-thiazole-4-carboxamide;ethane is sourced from PubChem (CID 176555037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).