4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide

C13H17N3OS — CID 79245948

IUPAC4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide
SMILESCC(C)[C@H]1CSC(Nc2ccc(C(N)=O)cc2)=N1
InChIInChI=1S/C13H17N3OS/c1-8(2)11-7-18-13(16-11)15-10-5-3-9(4-6-10)12(14)17/h3-6,8,11H,7H2,1-2H3,(H2,14,17)(H,15,16)/t11-/m1/s1
InChIKeyLAKITSAYXXJJAD-LLVKDONJSA-N
MW263.37 g/mol
LogP2.32
Rot. Bonds3

About 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide

4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 79245948) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide
PubChem CID79245948
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide
SMILESCC(C)[C@H]1CSC(Nc2ccc(C(N)=O)cc2)=N1
InChIInChI=1S/C13H17N3OS/c1-8(2)11-7-18-13(16-11)15-10-5-3-9(4-6-10)12(14)17/h3-6,8,11H,7H2,1-2H3,(H2,14,17)(H,15,16)/t11-/m1/s1
InChIKeyLAKITSAYXXJJAD-LLVKDONJSA-N
XLogP2.32
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 11241486
4-[(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzamide
CID 63183072
N-(3,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857701
(4S)-N-(3-bromo-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246393
(4S)-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79246569
(4S)-N-(4-bromo-3-methoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 82859403
N-methyl-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107857799
N-[3-(1,3-dioxolan-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858209
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
CID 64551710
4-[(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]benzamide
CID 106249819
(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788

Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide (CID 79245948) is 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide is CC(C)[C@H]1CSC(Nc2ccc(C(N)=O)cc2)=N1.
What is the InChIKey of 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is LAKITSAYXXJJAD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)11-7-18-13(16-11)15-10-5-3-9(4-6-10)12(14)17/h3-6,8,11H,7H2,1-2H3,(H2,14,17)(H,15,16)/t11-/m1/s1.
What are the key properties of 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide?
4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 263.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 79245948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).