N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide

C17H18N2OS — CID 86991209

IUPACN-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H18N2OS/c20-16(19-15(11-6-7-11)12-8-9-12)14-10-18-17(21-14)13-4-2-1-3-5-13/h1-5,10-12,15H,6-9H2,(H,19,20)
InChIKeyWDNUSTAIMYIGOI-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.73
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide

N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 86991209) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID86991209
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC(C1CC1)C1CC1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C17H18N2OS/c20-16(19-15(11-6-7-11)12-8-9-12)14-10-18-17(21-14)13-4-2-1-3-5-13/h1-5,10-12,15H,6-9H2,(H,19,20)
InChIKeyWDNUSTAIMYIGOI-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Anilino-1-(2-phenyl-1,3-thiazol-5-yl)-2-propen-1-one
CID 5919925
N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
CID 162675460
N-[3-(azepan-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164613815
US10343992, Example 71
CID 122590394
US10343992, Example 72
CID 122590506
N-cyclopropyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 17592519
2-(4-methylphenyl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 122190918
N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134809825
N-[3-(3-methylpyrrolidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164609398
2-phenyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 164611021
N-[3-(dimethylamino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164615283
N-[3-(4-methoxypiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164617757

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 86991209) is N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide is O=C(NC(C1CC1)C1CC1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WDNUSTAIMYIGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-16(19-15(11-6-7-11)12-8-9-12)14-10-18-17(21-14)13-4-2-1-3-5-13/h1-5,10-12,15H,6-9H2,(H,19,20).
What are the key properties of N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86991209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).