2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide

C14H17N3O2S — CID 82515992

IUPAC2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESCC(C)COc1ccc(-c2nc(C(=O)NN)cs2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9(2)7-19-11-5-3-10(4-6-11)14-16-12(8-20-14)13(18)17-15/h3-6,8-9H,7,15H2,1-2H3,(H,17,18)
InChIKeyBMMPZMVGDAJQBN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.45
Rot. Bonds5

About 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide

2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 82515992) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
PubChem CID82515992
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
SMILESCC(C)COc1ccc(-c2nc(C(=O)NN)cs2)cc1
InChIInChI=1S/C14H17N3O2S/c1-9(2)7-19-11-5-3-10(4-6-11)14-16-12(8-20-14)13(18)17-15/h3-6,8-9H,7,15H2,1-2H3,(H,17,18)
InChIKeyBMMPZMVGDAJQBN-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylpropoxy)phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46066049
N-methyl-2-[4-(2-methylpropoxy)phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46067949
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
N-(3-aminobutyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119495584
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56558235

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide (CID 82515992) is 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide is CC(C)COc1ccc(-c2nc(C(=O)NN)cs2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is BMMPZMVGDAJQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9(2)7-19-11-5-3-10(4-6-11)14-16-12(8-20-14)13(18)17-15/h3-6,8-9H,7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide?
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 82515992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).