4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide

C11H20N4OS — CID 82439369

IUPAC4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCN(C)Cc1nc(C(C)(C)C)c(C(=O)NN)s1
InChIInChI=1S/C11H20N4OS/c1-11(2,3)9-8(10(16)14-12)17-7(13-9)6-15(4)5/h6,12H2,1-5H3,(H,14,16)
InChIKeyRXYVKMHFOZKULV-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.11
Rot. Bonds3

About 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide

4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 82439369) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide
PubChem CID82439369
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide
SMILESCN(C)Cc1nc(C(C)(C)C)c(C(=O)NN)s1
InChIInChI=1S/C11H20N4OS/c1-11(2,3)9-8(10(16)14-12)17-7(13-9)6-15(4)5/h6,12H2,1-5H3,(H,14,16)
InChIKeyRXYVKMHFOZKULV-UHFFFAOYSA-N
XLogP1.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.11
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-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
CID 82439357
4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboxylic acid
CID 82227339
4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide
CID 82439300
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
CID 59446211
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432930
2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
CID 82436995
1-(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)ethanone
CID 82438513
4-tert-butyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114359338
4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxylic acid
CID 114359474
2-[(dimethylamino)methyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82227419
4-tert-butyl-2-(diethylaminomethyl)-1,3-thiazole-5-carboximidamide
CID 82439378

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide (CID 82439369) is 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide is CN(C)Cc1nc(C(C)(C)C)c(C(=O)NN)s1.
What is the InChIKey of 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is RXYVKMHFOZKULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-11(2,3)9-8(10(16)14-12)17-7(13-9)6-15(4)5/h6,12H2,1-5H3,(H,14,16).
What are the key properties of 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide?
4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 256.37 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82439369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).