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

C15H22N4OS — CID 138569540

IUPAC4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine
SMILESCCCN1CCOC(Cc2nc(Cc3ccn[nH]3)cs2)C1
InChIInChI=1S/C15H22N4OS/c1-2-5-19-6-7-20-14(10-19)9-15-17-13(11-21-15)8-12-3-4-16-18-12/h3-4,11,14H,2,5-10H2,1H3,(H,16,18)
InChIKeyXLJWTOFIKNSBRJ-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.11
Rot. Bonds6

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

4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine (PubChem CID 138569540) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine
PubChem CID138569540
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine
SMILESCCCN1CCOC(Cc2nc(Cc3ccn[nH]3)cs2)C1
InChIInChI=1S/C15H22N4OS/c1-2-5-19-6-7-20-14(10-19)9-15-17-13(11-21-15)8-12-3-4-16-18-12/h3-4,11,14H,2,5-10H2,1H3,(H,16,18)
InChIKeyXLJWTOFIKNSBRJ-UHFFFAOYSA-N
XLogP2.11
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine (CID 138569540) is 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine is CCCN1CCOC(Cc2nc(Cc3ccn[nH]3)cs2)C1.
What is the InChIKey of 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine?
The InChIKey is XLJWTOFIKNSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-5-19-6-7-20-14(10-19)9-15-17-13(11-21-15)8-12-3-4-16-18-12/h3-4,11,14H,2,5-10H2,1H3,(H,16,18).
What are the key properties of 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine?
4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine has a molecular weight of 306.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[[4-(1H-pyrazol-5-ylmethyl)-1,3-thiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 138569540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).