N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

C15H22N4OS — CID 91843321

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCCCc2c(C)n[nH]c2C)c(C)s1
InChIInChI=1S/C15H22N4OS/c1-9-13(10(2)19-18-9)6-5-7-16-15(20)8-14-11(3)21-12(4)17-14/h5-8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJBKASFMMGQYCJO-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.39
Rot. Bonds6

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 91843321) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
PubChem CID91843321
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCCCc2c(C)n[nH]c2C)c(C)s1
InChIInChI=1S/C15H22N4OS/c1-9-13(10(2)19-18-9)6-5-7-16-15(20)8-14-11(3)21-12(4)17-14/h5-8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJBKASFMMGQYCJO-UHFFFAOYSA-N
XLogP2.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (CID 91843321) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCCCc2c(C)n[nH]c2C)c(C)s1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JBKASFMMGQYCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9-13(10(2)19-18-9)6-5-7-16-15(20)8-14-11(3)21-12(4)17-14/h5-8H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 306.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 91843321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).