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

C16H22N4OS — CID 91831773

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCCCn2nccc2C2CC2)c(C)s1
InChIInChI=1S/C16H22N4OS/c1-11-14(19-12(2)22-11)10-16(21)17-7-3-9-20-15(6-8-18-20)13-4-5-13/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,17,21)
InChIKeyQAIPDUDDPVMTIA-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.58
Rot. Bonds7

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

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (PubChem CID 91831773) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
PubChem CID91831773
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCCCn2nccc2C2CC2)c(C)s1
InChIInChI=1S/C16H22N4OS/c1-11-14(19-12(2)22-11)10-16(21)17-7-3-9-20-15(6-8-18-20)13-4-5-13/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,17,21)
InChIKeyQAIPDUDDPVMTIA-UHFFFAOYSA-N
XLogP2.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide (CID 91831773) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCCCn2nccc2C2CC2)c(C)s1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is QAIPDUDDPVMTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-14(19-12(2)22-11)10-16(21)17-7-3-9-20-15(6-8-18-20)13-4-5-13/h6,8,13H,3-5,7,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 318.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 91831773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).