N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide

C19H18N2OS — CID 46943493

IUPACN-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2ccccc2C)cs1
InChIInChI=1S/C19H18N2OS/c1-13-8-6-7-11-16(13)17-12-23-19(21-17)18(20-14(2)22)15-9-4-3-5-10-15/h3-12,18H,1-2H3,(H,20,22)
InChIKeyIGEAKFZRXUGAHI-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.34
Rot. Bonds4

About N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide

N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide (PubChem CID 46943493) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
PubChem CID46943493
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
SMILESCC(=O)NC(c1ccccc1)c1nc(-c2ccccc2C)cs1
InChIInChI=1S/C19H18N2OS/c1-13-8-6-7-11-16(13)17-12-23-19(21-17)18(20-14(2)22)15-9-4-3-5-10-15/h3-12,18H,1-2H3,(H,20,22)
InChIKeyIGEAKFZRXUGAHI-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The IUPAC name of N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide (CID 46943493) is N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide.
What is the SMILES notation for N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The canonical SMILES for N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide is CC(=O)NC(c1ccccc1)c1nc(-c2ccccc2C)cs1.
What is the InChIKey of N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
The InChIKey is IGEAKFZRXUGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-8-6-7-11-16(13)17-12-23-19(21-17)18(20-14(2)22)15-9-4-3-5-10-15/h3-12,18H,1-2H3,(H,20,22).
What are the key properties of N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide?
N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide is sourced from PubChem (CID 46943493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).