N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide

C12H20N2OS — CID 110694251

IUPACN-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCCCNC(=O)c1csc(C(C)C)n1
InChIInChI=1S/C12H20N2OS/c1-4-5-6-7-13-11(15)10-8-16-12(14-10)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyDRSSWUJFSBFMLG-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.19
Rot. Bonds6

About N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide

N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 110694251) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID110694251
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCCCNC(=O)c1csc(C(C)C)n1
InChIInChI=1S/C12H20N2OS/c1-4-5-6-7-13-11(15)10-8-16-12(14-10)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,15)
InChIKeyDRSSWUJFSBFMLG-UHFFFAOYSA-N
XLogP3.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.19
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-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394
2-(1-aminoethyl)-N-(5-methylhexyl)-1,3-thiazole-4-carboxamide
CID 113287433
2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide
CID 82939939
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
N-[2-(methylamino)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120830806
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
CID 119253199
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91833858
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069
N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119528766

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 110694251) is N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide is CCCCCNC(=O)c1csc(C(C)C)n1.
What is the InChIKey of N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DRSSWUJFSBFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-5-6-7-13-11(15)10-8-16-12(14-10)9(2)3/h8-9H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110694251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).