4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide

C14H16N4O2S — CID 63280729

IUPAC4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ncsc1CNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H16N4O2S/c1-9-12(21-8-18-9)6-16-13(19)7-17-14(20)10-2-4-11(15)5-3-10/h2-5,8H,6-7,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyAKXGUZLLAINPPP-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.08
Rot. Bonds5

About 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide

4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 63280729) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID63280729
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide
SMILESCc1ncsc1CNC(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H16N4O2S/c1-9-12(21-8-18-9)6-16-13(19)7-17-14(20)10-2-4-11(15)5-3-10/h2-5,8H,6-7,15H2,1H3,(H,16,19)(H,17,20)
InChIKeyAKXGUZLLAINPPP-UHFFFAOYSA-N
XLogP1.08
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
3-(4-aminophenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63279966
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
2-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 55171882
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoic acid
CID 63280743
2-(3-amino-1,2,4-triazol-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63280307

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide (CID 63280729) is 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide is Cc1ncsc1CNC(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is AKXGUZLLAINPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-12(21-8-18-9)6-16-13(19)7-17-14(20)10-2-4-11(15)5-3-10/h2-5,8H,6-7,15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide?
4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 304.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 63280729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).