N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide

C16H16N4O2S — CID 71071152

IUPACN-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1nc(Cc2cccc(O)c2)sc1NC(=O)c1ccnn1C
InChIInChI=1S/C16H16N4O2S/c1-10-16(19-15(22)13-6-7-17-20(13)2)23-14(18-10)9-11-4-3-5-12(21)8-11/h3-8,21H,9H2,1-2H3,(H,19,22)
InChIKeyPIKHATMYTJKFAC-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.73
Rot. Bonds4

About N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide

N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 71071152) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
PubChem CID71071152
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide
SMILESCc1nc(Cc2cccc(O)c2)sc1NC(=O)c1ccnn1C
InChIInChI=1S/C16H16N4O2S/c1-10-16(19-15(22)13-6-7-17-20(13)2)23-14(18-10)9-11-4-3-5-12(21)8-11/h3-8,21H,9H2,1-2H3,(H,19,22)
InChIKeyPIKHATMYTJKFAC-UHFFFAOYSA-N
XLogP2.73
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide (CID 71071152) is N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide is Cc1nc(Cc2cccc(O)c2)sc1NC(=O)c1ccnn1C.
What is the InChIKey of N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is PIKHATMYTJKFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-16(19-15(22)13-6-7-17-20(13)2)23-14(18-10)9-11-4-3-5-12(21)8-11/h3-8,21H,9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide?
N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71071152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).