N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide

C18H23N3O3S — CID 55691433

IUPACN'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(C)c(C(=O)NNC(=O)COc2cc(C)ccc2C)s1
InChIInChI=1S/C18H23N3O3S/c1-5-6-16-19-13(4)17(25-16)18(23)21-20-15(22)10-24-14-9-11(2)7-8-12(14)3/h7-9H,5-6,10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCBYBAPZNGVMPCB-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.86
Rot. Bonds6

About N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide

N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide (PubChem CID 55691433) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide
PubChem CID55691433
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(C)c(C(=O)NNC(=O)COc2cc(C)ccc2C)s1
InChIInChI=1S/C18H23N3O3S/c1-5-6-16-19-13(4)17(25-16)18(23)21-20-15(22)10-24-14-9-11(2)7-8-12(14)3/h7-9H,5-6,10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCBYBAPZNGVMPCB-UHFFFAOYSA-N
XLogP2.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-N-(3,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 46741197
2-[(2,5-dimethylphenoxy)methyl]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 46741195
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-ethoxybenzohydrazide
CID 26845933
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 8918792
4-tert-butyl-N'-[2-(2,5-dimethylphenoxy)acetyl]benzohydrazide
CID 3310075
N'-[2-(2,5-dimethylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 38009598
2-[(2,5-dimethylphenoxy)methyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 20894858
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-thiophen-2-yl-1,3-thiazole-4-carbohydrazide
CID 26760635

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide (CID 55691433) is N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide is CCCc1nc(C)c(C(=O)NNC(=O)COc2cc(C)ccc2C)s1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is CBYBAPZNGVMPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-5-6-16-19-13(4)17(25-16)18(23)21-20-15(22)10-24-14-9-11(2)7-8-12(14)3/h7-9H,5-6,10H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide?
N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 361.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-2-propyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55691433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).