4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile

C10H13N3OS — CID 112734300

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile
SMILESCc1nc(CN2CCOC(C#N)C2)cs1
InChIInChI=1S/C10H13N3OS/c1-8-12-9(7-15-8)5-13-2-3-14-10(4-11)6-13/h7,10H,2-3,5-6H2,1H3
InChIKeyQPSOUNINAOLOPJ-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.18
Rot. Bonds2

About 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile

4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile (PubChem CID 112734300) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile
PubChem CID112734300
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile
SMILESCc1nc(CN2CCOC(C#N)C2)cs1
InChIInChI=1S/C10H13N3OS/c1-8-12-9(7-15-8)5-13-2-3-14-10(4-11)6-13/h7,10H,2-3,5-6H2,1H3
InChIKeyQPSOUNINAOLOPJ-UHFFFAOYSA-N
XLogP1.18
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
CID 78995631
(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
CID 125025991
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981120
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
4-[(5-ethylthiophen-2-yl)methyl]morpholine-2-carbonitrile
CID 79674102
6-[(2-cyanomorpholin-4-yl)methyl]pyridine-2-carboxylic acid
CID 106904230
4-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113875
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride
CID 120661028
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
CID 106993855

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile (CID 112734300) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile is Cc1nc(CN2CCOC(C#N)C2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile?
The InChIKey is QPSOUNINAOLOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-8-12-9(7-15-8)5-13-2-3-14-10(4-11)6-13/h7,10H,2-3,5-6H2,1H3.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile has a molecular weight of 223.30 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 112734300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).