methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate

C13H15ClN4O3S — CID 133281943

IUPACmethyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCOC(Cn3cccn3)C2)nc1Cl
InChIInChI=1S/C13H15ClN4O3S/c1-20-12(19)10-11(14)16-13(22-10)17-5-6-21-9(7-17)8-18-4-2-3-15-18/h2-4,9H,5-8H2,1H3
InChIKeyANIQXKYWTLVPSR-UHFFFAOYSA-N
MW342.81 g/mol
LogP1.68
Rot. Bonds4

About methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate (PubChem CID 133281943) has the molecular formula C13H15ClN4O3S and a molecular weight of 342.81 g/mol. Its IUPAC name is methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
PubChem CID133281943
Molecular FormulaC13H15ClN4O3S
Molecular Weight342.81 g/mol
Exact Mass342.06
IUPAC Namemethyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCOC(Cn3cccn3)C2)nc1Cl
InChIInChI=1S/C13H15ClN4O3S/c1-20-12(19)10-11(14)16-13(22-10)17-5-6-21-9(7-17)8-18-4-2-3-15-18/h2-4,9H,5-8H2,1H3
InChIKeyANIQXKYWTLVPSR-UHFFFAOYSA-N
XLogP1.68
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-chloro-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 61224291
ethyl 5-methyl-4-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133281940
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 127418050
methyl 4-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 114777939
methyl 2-(4-benzyl-3-ethylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylate
CID 133458534
methyl 4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,3-thiazole-5-carboxylate
CID 61361803
methyl 4-chloro-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
CID 79096303
propan-2-yl 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 133470468
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595
4-acetyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
CID 133443381
methyl 4-chloro-2-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 113234215

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate (CID 133281943) is methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCOC(Cn3cccn3)C2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is ANIQXKYWTLVPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3S/c1-20-12(19)10-11(14)16-13(22-10)17-5-6-21-9(7-17)8-18-4-2-3-15-18/h2-4,9H,5-8H2,1H3.
What are the key properties of methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 342.81 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 133281943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).