2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide

C18H17N3OS — CID 47019877

IUPAC2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
SMILESCc1nc(-c2ccc(NC(C(N)=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C18H17N3OS/c1-12-20-16(11-23-12)13-7-9-15(10-8-13)21-17(18(19)22)14-5-3-2-4-6-14/h2-11,17,21H,1H3,(H2,19,22)
InChIKeyCWJSTHLCCWTQPN-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.76
Rot. Bonds5

About 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide

2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide (PubChem CID 47019877) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
PubChem CID47019877
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
SMILESCc1nc(-c2ccc(NC(C(N)=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C18H17N3OS/c1-12-20-16(11-23-12)13-7-9-15(10-8-13)21-17(18(19)22)14-5-3-2-4-6-14/h2-11,17,21H,1H3,(H2,19,22)
InChIKeyCWJSTHLCCWTQPN-UHFFFAOYSA-N
XLogP3.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide?
The IUPAC name of 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide (CID 47019877) is 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide.
What is the SMILES notation for 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide?
The canonical SMILES for 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide is Cc1nc(-c2ccc(NC(C(N)=O)c3ccccc3)cc2)cs1.
What is the InChIKey of 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide?
The InChIKey is CWJSTHLCCWTQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-20-16(11-23-12)13-7-9-15(10-8-13)21-17(18(19)22)14-5-3-2-4-6-14/h2-11,17,21H,1H3,(H2,19,22).
What are the key properties of 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide?
2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide has a molecular weight of 323.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide is sourced from PubChem (CID 47019877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).