(1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide

C20H18N4O2S — CID 167848903

IUPAC(1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)C1C[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C20H18N4O2S/c25-18-10-12-8-15(18)16(9-12)19(26)23-20-22-17(11-27-20)13-2-4-14(5-3-13)24-7-1-6-21-24/h1-7,11-12,15-16H,8-10H2,(H,22,23,26)/t12-,15+,16?/m0/s1
InChIKeyOEJQYMGUXNTREY-PNMZXMJCSA-N
MW378.46 g/mol
LogP3.55
Rot. Bonds4

About (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide

(1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167848903) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167848903
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name(1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)C1C[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C20H18N4O2S/c25-18-10-12-8-15(18)16(9-12)19(26)23-20-22-17(11-27-20)13-2-4-14(5-3-13)24-7-1-6-21-24/h1-7,11-12,15-16H,8-10H2,(H,22,23,26)/t12-,15+,16?/m0/s1
InChIKeyOEJQYMGUXNTREY-PNMZXMJCSA-N
XLogP3.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 71931589
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 5015586
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
(1S,2R,4S)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 7102759
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261910
(1R,6R)-6-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996347
cis-(1S,2R)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1000957
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
(3S)-1-(4-methylphenyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 2218521
2-(2-chlorophenyl)-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 78866594

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 167848903) is (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1nc(-c2ccc(-n3cccn3)cc2)cs1)C1C[C@H]2CC(=O)[C@@H]1C2.
What is the InChIKey of (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OEJQYMGUXNTREY-PNMZXMJCSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-18-10-12-8-15(18)16(9-12)19(26)23-20-22-17(11-27-20)13-2-4-14(5-3-13)24-7-1-6-21-24/h1-7,11-12,15-16H,8-10H2,(H,22,23,26)/t12-,15+,16?/m0/s1.
What are the key properties of (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide?
(1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-6-oxo-N-[4-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167848903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).