N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide

C16H16N4O2S — CID 25284522

IUPACN-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1C
InChIInChI=1S/C16H16N4O2S/c1-10-8-11(4-5-14(10)22-3)12-9-23-16(18-12)19-15(21)13-6-7-17-20(13)2/h4-9H,1-3H3,(H,18,19,21)
InChIKeyATPCQMSUSDRJSC-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.11
Rot. Bonds4

About N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide

N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 25284522) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID25284522
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1C
InChIInChI=1S/C16H16N4O2S/c1-10-8-11(4-5-14(10)22-3)12-9-23-16(18-12)19-15(21)13-6-7-17-20(13)2/h4-9H,1-3H3,(H,18,19,21)
InChIKeyATPCQMSUSDRJSC-UHFFFAOYSA-N
XLogP3.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (CID 25284522) is N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccnn3C)n2)cc1C.
What is the InChIKey of N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is ATPCQMSUSDRJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-8-11(4-5-14(10)22-3)12-9-23-16(18-12)19-15(21)13-6-7-17-20(13)2/h4-9H,1-3H3,(H,18,19,21).
What are the key properties of N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25284522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).