N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide

C16H23N5O2S — CID 71929003

IUPACN-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
SMILESCN1CCOC(CN(C(=O)CCCn2cccn2)c2nccs2)C1
InChIInChI=1S/C16H23N5O2S/c1-19-9-10-23-14(12-19)13-21(16-17-6-11-24-16)15(22)4-2-7-20-8-3-5-18-20/h3,5-6,8,11,14H,2,4,7,9-10,12-13H2,1H3
InChIKeyFYNVRWHNRCPIQC-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.48
Rot. Bonds7

About N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide

N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 71929003) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID71929003
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide
SMILESCN1CCOC(CN(C(=O)CCCn2cccn2)c2nccs2)C1
InChIInChI=1S/C16H23N5O2S/c1-19-9-10-23-14(12-19)13-21(16-17-6-11-24-16)15(22)4-2-7-20-8-3-5-18-20/h3,5-6,8,11,14H,2,4,7,9-10,12-13H2,1H3
InChIKeyFYNVRWHNRCPIQC-UHFFFAOYSA-N
XLogP1.48
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide (CID 71929003) is N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide is CN1CCOC(CN(C(=O)CCCn2cccn2)c2nccs2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is FYNVRWHNRCPIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-19-9-10-23-14(12-19)13-21(16-17-6-11-24-16)15(22)4-2-7-20-8-3-5-18-20/h3,5-6,8,11,14H,2,4,7,9-10,12-13H2,1H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide?
N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 349.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-4-pyrazol-1-yl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 71929003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).