N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide

C18H19N5O2S — CID 30547847

IUPACN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H19N5O2S/c24-17(14-2-4-16(5-3-14)23-7-1-6-19-23)21-18-20-15(13-26-18)12-22-8-10-25-11-9-22/h1-7,13H,8-12H2,(H,20,21,24)
InChIKeyWJFHQDMQIWWSQK-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.41
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide (PubChem CID 30547847) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide
PubChem CID30547847
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H19N5O2S/c24-17(14-2-4-16(5-3-14)23-7-1-6-19-23)21-18-20-15(13-26-18)12-22-8-10-25-11-9-22/h1-7,13H,8-12H2,(H,20,21,24)
InChIKeyWJFHQDMQIWWSQK-UHFFFAOYSA-N
XLogP2.41
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
4-[ethyl(propan-2-yl)amino]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 86867616
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547931
4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 31005479
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 112761980
4-chloro-N-[4-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 30547785
4-(2-cyanoethylsulfamoyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30548218
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
4-imidazol-1-yl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 112761952
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 30547818
3-(2,5-dimethylpyrrol-1-yl)-4-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 167947490

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide (CID 30547847) is N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide?
The InChIKey is WJFHQDMQIWWSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-17(14-2-4-16(5-3-14)23-7-1-6-19-23)21-18-20-15(13-26-18)12-22-8-10-25-11-9-22/h1-7,13H,8-12H2,(H,20,21,24).
What are the key properties of N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide?
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 30547847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).