4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide

C16H24N4OS — CID 124844321

IUPAC4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)CCCc1nccs1
InChIInChI=1S/C16H24N4OS/c1-11(10-14-12(2)19-20(4)13(14)3)18-15(21)6-5-7-16-17-8-9-22-16/h8-9,11H,5-7,10H2,1-4H3,(H,18,21)/t11-/m0/s1
InChIKeyFZWHGMNIQUGLLD-NSHDSACASA-N
MW320.46 g/mol
LogP2.56
Rot. Bonds7

About 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide

4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide (PubChem CID 124844321) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide
PubChem CID124844321
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)CCCc1nccs1
InChIInChI=1S/C16H24N4OS/c1-11(10-14-12(2)19-20(4)13(14)3)18-15(21)6-5-7-16-17-8-9-22-16/h8-9,11H,5-7,10H2,1-4H3,(H,18,21)/t11-/m0/s1
InChIKeyFZWHGMNIQUGLLD-NSHDSACASA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide 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

N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
N-(1-aminopropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110834085
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131933821
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71989902
3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 120501674
4-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]benzene-1,4-dicarboxamide
CID 119138224
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
(2S)-2-amino-3,3-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 119805230
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122146158

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide?
The IUPAC name of 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide (CID 124844321) is 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide is Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCCc1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide?
The InChIKey is FZWHGMNIQUGLLD-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N4OS/c1-11(10-14-12(2)19-20(4)13(14)3)18-15(21)6-5-7-16-17-8-9-22-16/h8-9,11H,5-7,10H2,1-4H3,(H,18,21)/t11-/m0/s1.
What are the key properties of 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide?
4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide has a molecular weight of 320.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide is sourced from PubChem (CID 124844321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).