N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide

C15H23N5OS — CID 135119571

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide
SMILESCc1nc(C(C)N(C)CC(=O)Nc2cn(C)nc2C)c(C)s1
InChIInChI=1S/C15H23N5OS/c1-9-13(7-20(6)18-9)17-14(21)8-19(5)10(2)15-11(3)22-12(4)16-15/h7,10H,8H2,1-6H3,(H,17,21)
InChIKeyCGXSRZADAKBYIN-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.43
Rot. Bonds5

About N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide (PubChem CID 135119571) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide
PubChem CID135119571
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide
SMILESCc1nc(C(C)N(C)CC(=O)Nc2cn(C)nc2C)c(C)s1
InChIInChI=1S/C15H23N5OS/c1-9-13(7-20(6)18-9)17-14(21)8-19(5)10(2)15-11(3)22-12(4)16-15/h7,10H,8H2,1-6H3,(H,17,21)
InChIKeyCGXSRZADAKBYIN-UHFFFAOYSA-N
XLogP2.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 118780443
3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide
CID 124855101
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
3-(4-aminophenyl)-N-(1,3-dimethylpyrazol-4-yl)butanamide
CID 102805605
2-(2-amino-1,3-thiazol-4-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 102805535
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
4-[3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanoylamino]benzamide
CID 124758919
2-[carboxymethyl-[(1,3-dimethylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 102806525
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104872498
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
CID 124750849
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8805123
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide (CID 135119571) is N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide is Cc1nc(C(C)N(C)CC(=O)Nc2cn(C)nc2C)c(C)s1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide?
The InChIKey is CGXSRZADAKBYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-9-13(7-20(6)18-9)17-14(21)8-19(5)10(2)15-11(3)22-12(4)16-15/h7,10H,8H2,1-6H3,(H,17,21).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]acetamide is sourced from PubChem (CID 135119571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).