N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C14H19N5O2S — CID 127310827

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCOC(CNC(=O)c2cnc(-c3cnn(C)c3)s2)C1
InChIInChI=1S/C14H19N5O2S/c1-18-3-4-21-11(9-18)6-15-13(20)12-7-16-14(22-12)10-5-17-19(2)8-10/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,15,20)
InChIKeyAKGCKHFKZNYMQO-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.60
Rot. Bonds4

About N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 127310827) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID127310827
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN1CCOC(CNC(=O)c2cnc(-c3cnn(C)c3)s2)C1
InChIInChI=1S/C14H19N5O2S/c1-18-3-4-21-11(9-18)6-15-13(20)12-7-16-14(22-12)10-5-17-19(2)8-10/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,15,20)
InChIKeyAKGCKHFKZNYMQO-UHFFFAOYSA-N
XLogP0.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310921
N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111447555
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-5-carboxamide
CID 136525043
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 124684814
5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624606
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223
5-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49094737
1-[(2R)-4-methylmorpholin-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]methanamine
CID 95339003
6-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49093596
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 99122319
N-[2-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 71876502

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 127310827) is N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is CN1CCOC(CNC(=O)c2cnc(-c3cnn(C)c3)s2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is AKGCKHFKZNYMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18-3-4-21-11(9-18)6-15-13(20)12-7-16-14(22-12)10-5-17-19(2)8-10/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,15,20).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 127310827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).