4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide

C15H20N4OS — CID 63568512

IUPAC4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)N(Cc1ccccc1)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C15H20N4OS/c1-11(2)19(8-12-6-4-3-5-7-12)9-13-10-21-15(17-13)14(20)18-16/h3-7,10-11H,8-9,16H2,1-2H3,(H,18,20)
InChIKeyFSJICXNGCRQVHH-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.16
Rot. Bonds6

About 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide

4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63568512) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63568512
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)N(Cc1ccccc1)Cc1csc(C(=O)NN)n1
InChIInChI=1S/C15H20N4OS/c1-11(2)19(8-12-6-4-3-5-7-12)9-13-10-21-15(17-13)14(20)18-16/h3-7,10-11H,8-9,16H2,1-2H3,(H,18,20)
InChIKeyFSJICXNGCRQVHH-UHFFFAOYSA-N
XLogP2.16
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.16
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

4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579115
2-[2-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159513
4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63584999
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579824
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585678
2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 78822945
4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63570034
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63577145
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55214617
4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
CID 63584494
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63568512) is 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide is CC(C)N(Cc1ccccc1)Cc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is FSJICXNGCRQVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(2)19(8-12-6-4-3-5-7-12)9-13-10-21-15(17-13)14(20)18-16/h3-7,10-11H,8-9,16H2,1-2H3,(H,18,20).
What are the key properties of 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 304.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63568512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).