N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide

C19H21N3O2S — CID 51261910

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CC4CCC3C4)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-11(23)20-15-6-4-13(5-7-15)17-10-25-19(21-17)22-18(24)16-9-12-2-3-14(16)8-12/h4-7,10,12,14,16H,2-3,8-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyJSXUWDUVPYCEAE-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.14
Rot. Bonds4

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 51261910) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID51261910
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3CC4CCC3C4)n2)cc1
InChIInChI=1S/C19H21N3O2S/c1-11(23)20-15-6-4-13(5-7-15)17-10-25-19(21-17)22-18(24)16-9-12-2-3-14(16)8-12/h4-7,10,12,14,16H,2-3,8-9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyJSXUWDUVPYCEAE-UHFFFAOYSA-N
XLogP4.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,4S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 7102759
(1R,2R,4R)-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98277438
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 5006386
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 138043771
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 18127329
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119676258
N-[4-[4-(butanoylamino)phenyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 17417845
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
CID 120783216

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 51261910) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)C3CC4CCC3C4)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is JSXUWDUVPYCEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-11(23)20-15-6-4-13(5-7-15)17-10-25-19(21-17)22-18(24)16-9-12-2-3-14(16)8-12/h4-7,10,12,14,16H,2-3,8-9H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 51261910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).