5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide

C17H25N5O2S — CID 19616004

IUPAC5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)n(C)n1
InChIInChI=1S/C17H25N5O2S/c1-7-22(8-2)15(24)11-9-12(21(6)20-11)14(23)19-16-18-13(10-25-16)17(3,4)5/h9-10H,7-8H2,1-6H3,(H,18,19,23)
InChIKeyQYBGHJPXPNIRTH-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.91
Rot. Bonds5

About 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide

5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 19616004) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide
PubChem CID19616004
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)n(C)n1
InChIInChI=1S/C17H25N5O2S/c1-7-22(8-2)15(24)11-9-12(21(6)20-11)14(23)19-16-18-13(10-25-16)17(3,4)5/h9-10H,7-8H2,1-6H3,(H,18,19,23)
InChIKeyQYBGHJPXPNIRTH-UHFFFAOYSA-N
XLogP2.91
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91945783
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CID 17394808
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121131
2-[2-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79322066
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054785
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CID 81316674
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CID 80615669
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 78897554
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
4-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide (CID 19616004) is 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide is CCN(CC)C(=O)c1cc(C(=O)Nc2nc(C(C)(C)C)cs2)n(C)n1.
What is the InChIKey of 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is QYBGHJPXPNIRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-7-22(8-2)15(24)11-9-12(21(6)20-11)14(23)19-16-18-13(10-25-16)17(3,4)5/h9-10H,7-8H2,1-6H3,(H,18,19,23).
What are the key properties of 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide?
5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 363.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 19616004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).