N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide

C19H22N4O4S — CID 66614022

IUPACN'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide
SMILESCC(=O)NNC(=O)CC1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1
InChIInChI=1S/C19H22N4O4S/c1-12(24)21-22-18(25)10-13-2-4-15(5-3-13)19-20-11-17(28-19)14-6-8-16(9-7-14)23(26)27/h6-9,11,13,15H,2-5,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyWMKFEFXAPPEQQH-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.55
Rot. Bonds5

About N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide

N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide (PubChem CID 66614022) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide
PubChem CID66614022
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide
SMILESCC(=O)NNC(=O)CC1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1
InChIInChI=1S/C19H22N4O4S/c1-12(24)21-22-18(25)10-13-2-4-15(5-3-13)19-20-11-17(28-19)14-6-8-16(9-7-14)23(26)27/h6-9,11,13,15H,2-5,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyWMKFEFXAPPEQQH-UHFFFAOYSA-N
XLogP3.55
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate
CID 66614080
methyl 2,4,4-trimethyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentanoate
CID 141330792
tert-butyl 2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]propanoate
CID 66610007
2-ethyl-5-(4-nitrophenyl)-1,3-thiazole
CID 58780787
2,3,3-trimethyl-4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid
CID 174686257
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
(4R,5R)-7,7-dimethyl-4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]-1,8-dioxaspiro[4.5]decan-2-one
CID 1422834
(4S,5S)-7,7-dimethyl-4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]-1,8-dioxaspiro[4.5]decan-2-one
CID 1422831
2-cyclopentyl-N-[(4-nitrophenyl)methyl]acetamide
CID 47312023
ethyl 2-[4-[5-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]acetate
CID 66609665
2-cyclopentyl-5-phenyl-1,3-thiazole
CID 174113230
2-cyclopropyl-5-(4-isocyanophenyl)-1,3-thiazole
CID 153456451

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide (CID 66614022) is N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide is CC(=O)NNC(=O)CC1CCC(c2ncc(-c3ccc([N+](=O)[O-])cc3)s2)CC1.
What is the InChIKey of N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide?
The InChIKey is WMKFEFXAPPEQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-12(24)21-22-18(25)10-13-2-4-15(5-3-13)19-20-11-17(28-19)14-6-8-16(9-7-14)23(26)27/h6-9,11,13,15H,2-5,10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide?
N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide has a molecular weight of 402.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[4-[5-(4-nitrophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetohydrazide is sourced from PubChem (CID 66614022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).