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

C15H23N5OS — CID 164636597

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide
SMILESCc1cc(NC(=O)CN(C)[C@@H](C)c2sc(C)nc2C)n(C)n1
InChIInChI=1S/C15H23N5OS/c1-9-7-13(20(6)18-9)17-14(21)8-19(5)11(3)15-10(2)16-12(4)22-15/h7,11H,8H2,1-6H3,(H,17,21)/t11-/m0/s1
InChIKeyCDOAHOKZHXKMBN-NSHDSACASA-N
MW321.45 g/mol
LogP2.43
Rot. Bonds5

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

N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide (PubChem CID 164636597) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide
PubChem CID164636597
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide
SMILESCc1cc(NC(=O)CN(C)[C@@H](C)c2sc(C)nc2C)n(C)n1
InChIInChI=1S/C15H23N5OS/c1-9-7-13(20(6)18-9)17-14(21)8-19(5)11(3)15-10(2)16-12(4)22-15/h7,11H,8H2,1-6H3,(H,17,21)/t11-/m0/s1
InChIKeyCDOAHOKZHXKMBN-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide (CID 164636597) is N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide is Cc1cc(NC(=O)CN(C)[C@@H](C)c2sc(C)nc2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide?
The InChIKey is CDOAHOKZHXKMBN-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N5OS/c1-9-7-13(20(6)18-9)17-14(21)8-19(5)11(3)15-10(2)16-12(4)22-15/h7,11H,8H2,1-6H3,(H,17,21)/t11-/m0/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-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-(2,5-dimethylpyrazol-3-yl)-2-[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-methylamino]acetamide is sourced from PubChem (CID 164636597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).