N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C12H13N3OS — CID 4820967

IUPACN-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCNc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C12H13N3OS/c1-8(16)14-10-5-3-9(4-6-10)11-7-17-12(13-2)15-11/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyVGXMQEHVMFVOIZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.81
Rot. Bonds3

About N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 4820967) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID4820967
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCNc1nc(-c2ccc(NC(C)=O)cc2)cs1
InChIInChI=1S/C12H13N3OS/c1-8(16)14-10-5-3-9(4-6-10)11-7-17-12(13-2)15-11/h3-7H,1-2H3,(H,13,15)(H,14,16)
InChIKeyVGXMQEHVMFVOIZ-UHFFFAOYSA-N
XLogP2.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4540074
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-[2-(4-hydroxy-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972851
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 4820967) is N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CNc1nc(-c2ccc(NC(C)=O)cc2)cs1.
What is the InChIKey of N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is VGXMQEHVMFVOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(16)14-10-5-3-9(4-6-10)11-7-17-12(13-2)15-11/h3-7H,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 247.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 4820967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).