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

C16H23N5O2S — CID 86802591

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc(C2COCCN2C(=O)NCCCc2cn[nH]c2C)n1
InChIInChI=1S/C16H23N5O2S/c1-11-10-24-15(19-11)14-9-23-7-6-21(14)16(22)17-5-3-4-13-8-18-20-12(13)2/h8,10,14H,3-7,9H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyMDAZUQNYNCOJGA-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.20
Rot. Bonds5

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

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 86802591) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID86802591
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc(C2COCCN2C(=O)NCCCc2cn[nH]c2C)n1
InChIInChI=1S/C16H23N5O2S/c1-11-10-24-15(19-11)14-9-23-7-6-21(14)16(22)17-5-3-4-13-8-18-20-12(13)2/h8,10,14H,3-7,9H2,1-2H3,(H,17,22)(H,18,20)
InChIKeyMDAZUQNYNCOJGA-UHFFFAOYSA-N
XLogP2.20
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
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-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 86802591) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1csc(C2COCCN2C(=O)NCCCc2cn[nH]c2C)n1.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is MDAZUQNYNCOJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-10-24-15(19-11)14-9-23-7-6-21(14)16(22)17-5-3-4-13-8-18-20-12(13)2/h8,10,14H,3-7,9H2,1-2H3,(H,17,22)(H,18,20).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 86802591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).