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

C15H17N3O2S — CID 39768880

IUPACN-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
SMILESCc1cnc(NC(=O)CCCNC(=O)c2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-11-10-17-15(21-11)18-13(19)8-5-9-16-14(20)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeySIZTVUISFFJNDK-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.60
Rot. Bonds6

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

N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide (PubChem CID 39768880) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
PubChem CID39768880
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
SMILESCc1cnc(NC(=O)CCCNC(=O)c2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-11-10-17-15(21-11)18-13(19)8-5-9-16-14(20)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeySIZTVUISFFJNDK-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide (CID 39768880) is N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide is Cc1cnc(NC(=O)CCCNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide?
The InChIKey is SIZTVUISFFJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-10-17-15(21-11)18-13(19)8-5-9-16-14(20)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide?
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide has a molecular weight of 303.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 39768880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).