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

C14H20N4OS — CID 97330885

IUPAC(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1ncc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)s1
InChIInChI=1S/C14H20N4OS/c1-9-14(10(2)17-16-9)13-8-19-5-4-18(13)7-12-6-15-11(3)20-12/h6,13H,4-5,7-8H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyMMBSAWVBJHRMLJ-CYBMUJFWSA-N
MW292.41 g/mol
LogP2.36
Rot. Bonds3

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

(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 97330885) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID97330885
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1ncc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)s1
InChIInChI=1S/C14H20N4OS/c1-9-14(10(2)17-16-9)13-8-19-5-4-18(13)7-12-6-15-11(3)20-12/h6,13H,4-5,7-8H2,1-3H3,(H,16,17)/t13-/m1/s1
InChIKeyMMBSAWVBJHRMLJ-CYBMUJFWSA-N
XLogP2.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
CID 125457640
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-quinoxalin-2-ylmorpholine
CID 97330544
2-tert-butyl-5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 167881418
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 75470386
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(3-methyltriazol-4-yl)sulfonylmorpholine
CID 154798432
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
CID 75470371
3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridin-3-ylsulfonylmorpholine
CID 154807999
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 97330769
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
CID 137247350
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one
CID 75470411

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (CID 97330885) is (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1ncc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)s1.
What is the InChIKey of (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is MMBSAWVBJHRMLJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-14(10(2)17-16-9)13-8-19-5-4-18(13)7-12-6-15-11(3)20-12/h6,13H,4-5,7-8H2,1-3H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 292.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 97330885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).