2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide

C13H18N4OS — CID 122159548

IUPAC2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide
SMILESCCCCC(C)C(=O)Nc1cn[nH]c1-c1nccs1
InChIInChI=1S/C13H18N4OS/c1-3-4-5-9(2)12(18)16-10-8-15-17-11(10)13-14-6-7-19-13/h6-9H,3-5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPCNBWYRTHPVPGW-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.30
Rot. Bonds6

About 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide

2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide (PubChem CID 122159548) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide
PubChem CID122159548
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide
SMILESCCCCC(C)C(=O)Nc1cn[nH]c1-c1nccs1
InChIInChI=1S/C13H18N4OS/c1-3-4-5-9(2)12(18)16-10-8-15-17-11(10)13-14-6-7-19-13/h6-9H,3-5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyPCNBWYRTHPVPGW-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide?
The IUPAC name of 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide (CID 122159548) is 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide.
What is the SMILES notation for 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide?
The canonical SMILES for 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide is CCCCC(C)C(=O)Nc1cn[nH]c1-c1nccs1.
What is the InChIKey of 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide?
The InChIKey is PCNBWYRTHPVPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-4-5-9(2)12(18)16-10-8-15-17-11(10)13-14-6-7-19-13/h6-9H,3-5H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide?
2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide has a molecular weight of 278.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide is sourced from PubChem (CID 122159548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).