N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C15H19N3O2S — CID 892629

IUPACN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC1=NCCS1
InChIInChI=1S/C15H19N3O2S/c1-10(2)12(14(20)18-15-16-8-9-21-15)17-13(19)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,19)(H,16,18,20)/t12-/m0/s1
InChIKeyZPVOJNWKXNOTAX-LBPRGKRZSA-N
MW305.40 g/mol
LogP1.66
Rot. Bonds4

About N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 892629) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID892629
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC1=NCCS1
InChIInChI=1S/C15H19N3O2S/c1-10(2)12(14(20)18-15-16-8-9-21-15)17-13(19)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,19)(H,16,18,20)/t12-/m0/s1
InChIKeyZPVOJNWKXNOTAX-LBPRGKRZSA-N
XLogP1.66
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 892629) is N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NC1=NCCS1.
What is the InChIKey of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is ZPVOJNWKXNOTAX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)12(14(20)18-15-16-8-9-21-15)17-13(19)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,19)(H,16,18,20)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 305.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 892629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).