2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide

C15H15ClN4O4S — CID 78776017

IUPAC2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H15ClN4O4S/c16-13-2-1-11(20(22)23)7-12(13)14(21)18-15-17-10(9-25-15)8-19-3-5-24-6-4-19/h1-2,7,9H,3-6,8H2,(H,17,18,21)
InChIKeyQOMCVPBGSODXEW-UHFFFAOYSA-N
MW382.83 g/mol
LogP2.79
Rot. Bonds5

About 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide

2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide (PubChem CID 78776017) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
PubChem CID78776017
Molecular FormulaC15H15ClN4O4S
Molecular Weight382.83 g/mol
Exact Mass382.05
IUPAC Name2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide
SMILESO=C(Nc1nc(CN2CCOCC2)cs1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C15H15ClN4O4S/c16-13-2-1-11(20(22)23)7-12(13)14(21)18-15-17-10(9-25-15)8-19-3-5-24-6-4-19/h1-2,7,9H,3-6,8H2,(H,17,18,21)
InChIKeyQOMCVPBGSODXEW-UHFFFAOYSA-N
XLogP2.79
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-nitro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 78775864
2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]-5-nitrobenzamide
CID 3495180
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46680161
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272
ethyl 2-[2-[(2-chloro-5-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 5167153
2,5-dimethyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 29324595
2-hydroxy-5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 46525048
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854
4-amino-5-chloro-2-methoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide;dihydrochloride
CID 119830565
2,4-dimethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547700
4-imidazol-1-yl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 112761952
4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 17139383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide (CID 78776017) is 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide is O=C(Nc1nc(CN2CCOCC2)cs1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide?
The InChIKey is QOMCVPBGSODXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c16-13-2-1-11(20(22)23)7-12(13)14(21)18-15-17-10(9-25-15)8-19-3-5-24-6-4-19/h1-2,7,9H,3-6,8H2,(H,17,18,21).
What are the key properties of 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide?
2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide has a molecular weight of 382.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide is sourced from PubChem (CID 78776017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).