N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide

C17H12ClN3O3S — CID 126537627

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1N=O
InChIInChI=1S/C17H12ClN3O3S/c1-24-15-8-11(4-7-13(15)21-23)16(22)20-17-19-14(9-25-17)10-2-5-12(18)6-3-10/h2-9H,1H3,(H,19,20,22)
InChIKeyIBPJLZJGQIECTN-UHFFFAOYSA-N
MW373.82 g/mol
LogP5.12
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide (PubChem CID 126537627) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide
PubChem CID126537627
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1N=O
InChIInChI=1S/C17H12ClN3O3S/c1-24-15-8-11(4-7-13(15)21-23)16(22)20-17-19-14(9-25-17)10-2-5-12(18)6-3-10/h2-9H,1H3,(H,19,20,22)
InChIKeyIBPJLZJGQIECTN-UHFFFAOYSA-N
XLogP5.12
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]-4-hydroxy-3-methoxybenzamide
CID 162121520
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254446
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-ethoxy-3-nitrobenzamide
CID 1280364

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide (CID 126537627) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide is COc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1N=O.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide?
The InChIKey is IBPJLZJGQIECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c1-24-15-8-11(4-7-13(15)21-23)16(22)20-17-19-14(9-25-17)10-2-5-12(18)6-3-10/h2-9H,1H3,(H,19,20,22).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide has a molecular weight of 373.82 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide is sourced from PubChem (CID 126537627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).