N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H20N4O2S — CID 168858509

IUPACN-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C1CCOCC1
InChIInChI=1S/C19H20N4O2S/c1-22(15-7-9-25-10-8-15)19(24)17-13-26-18(21-17)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,11-13,15H,7-10H2,1H3
InChIKeyQJPGGQBKVFUDIW-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.25
Rot. Bonds4

About N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 168858509) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID168858509
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C1CCOCC1
InChIInChI=1S/C19H20N4O2S/c1-22(15-7-9-25-10-8-15)19(24)17-13-26-18(21-17)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,11-13,15H,7-10H2,1H3
InChIKeyQJPGGQBKVFUDIW-UHFFFAOYSA-N
XLogP3.25
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperazin-1-ylphenyl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 70692368
US9617282, Example 95
CID 118641364
N-[4-(4-methyl-1,3-thiazol-2-yl)-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426403
US9617282, Example 169
CID 90431134
US9617282, Example 168
CID 90431135
US9617282, Example 170
CID 90431290
US9617282, Example 183
CID 118641107
US9617282, Example 175
CID 118641109
US9617282, Example 197
CID 118641110
US9617282, Example 182
CID 118641123
US9617282, Example 177
CID 118641124
US9617282, Example 196
CID 118641161

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 168858509) is N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(-c2cnn(-c3ccccc3)c2)n1)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QJPGGQBKVFUDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-22(15-7-9-25-10-8-15)19(24)17-13-26-18(21-17)14-11-20-23(12-14)16-5-3-2-4-6-16/h2-6,11-13,15H,7-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 168858509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).