N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C15H21N5O2S — CID 131960819

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc(C2COCCN2C(=O)NC(C)c2cnn(C)c2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-9-23-14(17-10)13-8-22-5-4-20(13)15(21)18-11(2)12-6-16-19(3)7-12/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,18,21)
InChIKeyZAHBKOYXERYHKA-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.03
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 131960819) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID131960819
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc(C2COCCN2C(=O)NC(C)c2cnn(C)c2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-9-23-14(17-10)13-8-22-5-4-20(13)15(21)18-11(2)12-6-16-19(3)7-12/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,18,21)
InChIKeyZAHBKOYXERYHKA-UHFFFAOYSA-N
XLogP2.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 131960819) is N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1csc(C2COCCN2C(=O)NC(C)c2cnn(C)c2)n1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is ZAHBKOYXERYHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-9-23-14(17-10)13-8-22-5-4-20(13)15(21)18-11(2)12-6-16-19(3)7-12/h6-7,9,11,13H,4-5,8H2,1-3H3,(H,18,21).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 131960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).