N-pentyl-1,3-thiazole-4-carboxamide

C9H14N2OS — CID 62045475

IUPACN-pentyl-1,3-thiazole-4-carboxamide
SMILESCCCCCNC(=O)c1cscn1
InChIInChI=1S/C9H14N2OS/c1-2-3-4-5-10-9(12)8-6-13-7-11-8/h6-7H,2-5H2,1H3,(H,10,12)
InChIKeyKLBRZABWBBCHOK-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.06
Rot. Bonds5

About N-pentyl-1,3-thiazole-4-carboxamide

N-pentyl-1,3-thiazole-4-carboxamide (PubChem CID 62045475) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-pentyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1,3-thiazole-4-carboxamide
PubChem CID62045475
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-pentyl-1,3-thiazole-4-carboxamide
SMILESCCCCCNC(=O)c1cscn1
InChIInChI=1S/C9H14N2OS/c1-2-3-4-5-10-9(12)8-6-13-7-11-8/h6-7H,2-5H2,1H3,(H,10,12)
InChIKeyKLBRZABWBBCHOK-UHFFFAOYSA-N
XLogP2.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.06
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-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
N-[2-[ethyl(propyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103719294
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-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
4-[3-(1,3-thiazole-4-carbonylamino)propyl]benzenesulfonyl chloride
CID 63024069
4-bromo-N-dodecylpyridine-2-carboxamide
CID 132587561
N-(3-amino-3-hydroxyiminopropyl)-1,3-thiazole-4-carboxamide
CID 76982242

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-pentyl-1,3-thiazole-4-carboxamide (CID 62045475) is N-pentyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-pentyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-pentyl-1,3-thiazole-4-carboxamide is CCCCCNC(=O)c1cscn1.
What is the InChIKey of N-pentyl-1,3-thiazole-4-carboxamide?
The InChIKey is KLBRZABWBBCHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-4-5-10-9(12)8-6-13-7-11-8/h6-7H,2-5H2,1H3,(H,10,12).
What are the key properties of N-pentyl-1,3-thiazole-4-carboxamide?
N-pentyl-1,3-thiazole-4-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).