N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C19H19N3OS — CID 52517313

IUPACN-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)N[C@H](c2ccccc2)c2ccccn2)n1
InChIInChI=1S/C19H19N3OS/c1-13(2)16-12-24-19(21-16)18(23)22-17(14-8-4-3-5-9-14)15-10-6-7-11-20-15/h3-13,17H,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyBEFZDAQPXYNZIF-QGZVFWFLSA-N
MW337.45 g/mol
LogP4.18
Rot. Bonds5

About N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 52517313) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID52517313
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCC(C)c1csc(C(=O)N[C@H](c2ccccc2)c2ccccn2)n1
InChIInChI=1S/C19H19N3OS/c1-13(2)16-12-24-19(21-16)18(23)22-17(14-8-4-3-5-9-14)15-10-6-7-11-20-15/h3-13,17H,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyBEFZDAQPXYNZIF-QGZVFWFLSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 77082497
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 176998061
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 49318983
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052697
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 70814538

Frequently Asked Questions

What is the IUPAC name of N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 52517313) is N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is CC(C)c1csc(C(=O)N[C@H](c2ccccc2)c2ccccn2)n1.
What is the InChIKey of N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is BEFZDAQPXYNZIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(2)16-12-24-19(21-16)18(23)22-17(14-8-4-3-5-9-14)15-10-6-7-11-20-15/h3-13,17H,1-2H3,(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 52517313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).