N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide

C17H18N4O4S — CID 33302034

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C17H18N4O4S/c22-16(19-17-18-14(10-26-17)11-1-2-11)13-9-12(21(23)24)3-4-15(13)20-5-7-25-8-6-20/h3-4,9-11H,1-2,5-8H2,(H,18,19,22)
InChIKeyJPOPUQOYIPVCNK-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.02
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 33302034) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID33302034
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C17H18N4O4S/c22-16(19-17-18-14(10-26-17)11-1-2-11)13-9-12(21(23)24)3-4-15(13)20-5-7-25-8-6-20/h3-4,9-11H,1-2,5-8H2,(H,18,19,22)
InChIKeyJPOPUQOYIPVCNK-UHFFFAOYSA-N
XLogP3.02
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298949
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 16550213
N-(4-methyl-1,3-benzothiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408940
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298951
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide
CID 16959511
N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 78767414
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 91650779
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide
CID 26893855
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide (CID 33302034) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide is O=C(Nc1nc(C2CC2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is JPOPUQOYIPVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-16(19-17-18-14(10-26-17)11-1-2-11)13-9-12(21(23)24)3-4-15(13)20-5-7-25-8-6-20/h3-4,9-11H,1-2,5-8H2,(H,18,19,22).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 374.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 33302034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).