4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide

C18H25N3O2S — CID 120586855

IUPAC4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCc1ccc(-c2nc(NC(=O)CC(CN)OC)sc2C)cc1
InChIInChI=1S/C18H25N3O2S/c1-4-5-13-6-8-14(9-7-13)17-12(2)24-18(21-17)20-16(22)10-15(11-19)23-3/h6-9,15H,4-5,10-11,19H2,1-3H3,(H,20,21,22)
InChIKeyXCTNLAXCYLLOTN-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.37
Rot. Bonds8

About 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide

4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 120586855) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID120586855
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCc1ccc(-c2nc(NC(=O)CC(CN)OC)sc2C)cc1
InChIInChI=1S/C18H25N3O2S/c1-4-5-13-6-8-14(9-7-13)17-12(2)24-18(21-17)20-16(22)10-15(11-19)23-3/h6-9,15H,4-5,10-11,19H2,1-3H3,(H,20,21,22)
InChIKeyXCTNLAXCYLLOTN-UHFFFAOYSA-N
XLogP3.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587389
2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17498432
4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120588197
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119955925
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 119267192
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfanyl-2-(propanoylamino)butanamide
CID 60523426
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]formamide
CID 173175208
trans-(1S,2S)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1231767

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide (CID 120586855) is 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide is CCCc1ccc(-c2nc(NC(=O)CC(CN)OC)sc2C)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is XCTNLAXCYLLOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-5-13-6-8-14(9-7-13)17-12(2)24-18(21-17)20-16(22)10-15(11-19)23-3/h6-9,15H,4-5,10-11,19H2,1-3H3,(H,20,21,22).
What are the key properties of 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide?
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 347.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 120586855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).