N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide

C17H18N4O2S — CID 46942809

IUPACN-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1cccc(C(NC(C)=O)c2nc(-c3cnn(C)c3)cs2)c1
InChIInChI=1S/C17H18N4O2S/c1-11(22)19-16(12-5-4-6-14(7-12)23-3)17-20-15(10-24-17)13-8-18-21(2)9-13/h4-10,16H,1-3H3,(H,19,22)
InChIKeyNWXMHQRMICHHGU-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.78
Rot. Bonds5

About N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide

N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46942809) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46942809
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCOc1cccc(C(NC(C)=O)c2nc(-c3cnn(C)c3)cs2)c1
InChIInChI=1S/C17H18N4O2S/c1-11(22)19-16(12-5-4-6-14(7-12)23-3)17-20-15(10-24-17)13-8-18-21(2)9-13/h4-10,16H,1-3H3,(H,19,22)
InChIKeyNWXMHQRMICHHGU-UHFFFAOYSA-N
XLogP2.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide (CID 46942809) is N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide is COc1cccc(C(NC(C)=O)c2nc(-c3cnn(C)c3)cs2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is NWXMHQRMICHHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11(22)19-16(12-5-4-6-14(7-12)23-3)17-20-15(10-24-17)13-8-18-21(2)9-13/h4-10,16H,1-3H3,(H,19,22).
What are the key properties of N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide?
N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46942809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).