(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

C16H20N4O2S — CID 136567893

IUPAC(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCn1cc(-c2ncc(C(=O)N3CCOCC3(C)C3CC3)s2)cn1
InChIInChI=1S/C16H20N4O2S/c1-16(12-3-4-12)10-22-6-5-20(16)15(21)13-8-17-14(23-13)11-7-18-19(2)9-11/h7-9,12H,3-6,10H2,1-2H3
InChIKeyGVFNQVQRWKIJNP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.18
Rot. Bonds3

About (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 136567893) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
PubChem CID136567893
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCn1cc(-c2ncc(C(=O)N3CCOCC3(C)C3CC3)s2)cn1
InChIInChI=1S/C16H20N4O2S/c1-16(12-3-4-12)10-22-6-5-20(16)15(21)13-8-17-14(23-13)11-7-18-19(2)9-11/h7-9,12H,3-6,10H2,1-2H3
InChIKeyGVFNQVQRWKIJNP-UHFFFAOYSA-N
XLogP2.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120806956
[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 56788126
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 124684814
[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127764086
[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127310888
2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phthalazin-1-one
CID 136567872
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310827
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310921
N-[2-[2-(3-cyclopropyl-3-methylmorpholin-4-yl)-2-oxoethyl]phenyl]acetamide
CID 136567912
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 96503107
(6-bromo-8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 75399829
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728859

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (CID 136567893) is (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is Cn1cc(-c2ncc(C(=O)N3CCOCC3(C)C3CC3)s2)cn1.
What is the InChIKey of (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is GVFNQVQRWKIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(12-3-4-12)10-22-6-5-20(16)15(21)13-8-17-14(23-13)11-7-18-19(2)9-11/h7-9,12H,3-6,10H2,1-2H3.
What are the key properties of (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
(3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-methylmorpholin-4-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 136567893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).