2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide

C16H20N4O2S — CID 84590664

IUPAC2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)NCc2nc(C)sc2C)cc1
InChIInChI=1S/C16H20N4O2S/c1-10-14(19-11(2)23-10)9-18-16(22)20-13-6-4-12(5-7-13)8-15(21)17-3/h4-7H,8-9H2,1-3H3,(H,17,21)(H2,18,20,22)
InChIKeyJELQSUFXJLRALP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide

2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide (PubChem CID 84590664) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide
PubChem CID84590664
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NC(=O)NCc2nc(C)sc2C)cc1
InChIInChI=1S/C16H20N4O2S/c1-10-14(19-11(2)23-10)9-18-16(22)20-13-6-4-12(5-7-13)8-15(21)17-3/h4-7H,8-9H2,1-3H3,(H,17,21)(H2,18,20,22)
InChIKeyJELQSUFXJLRALP-UHFFFAOYSA-N
XLogP2.37
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7222732
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CID 24790887
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CID 24978787
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CID 44321429
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CID 44321444

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide (CID 84590664) is 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NC(=O)NCc2nc(C)sc2C)cc1.
What is the InChIKey of 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide?
The InChIKey is JELQSUFXJLRALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-14(19-11(2)23-10)9-18-16(22)20-13-6-4-12(5-7-13)8-15(21)17-3/h4-7H,8-9H2,1-3H3,(H,17,21)(H2,18,20,22).
What are the key properties of 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide?
2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide has a molecular weight of 332.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 84590664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).