2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide

C11H17N3OS — CID 82436995

IUPAC2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
SMILESCC(C)(C)c1nc(C2CC2)c(C(=O)NN)s1
InChIInChI=1S/C11H17N3OS/c1-11(2,3)10-13-7(6-4-5-6)8(16-10)9(15)14-12/h6H,4-5,12H2,1-3H3,(H,14,15)
InChIKeyGFJIODGPFKTKLU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.92
Rot. Bonds2

About 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide

2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82436995) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
PubChem CID82436995
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
SMILESCC(C)(C)c1nc(C2CC2)c(C(=O)NN)s1
InChIInChI=1S/C11H17N3OS/c1-11(2,3)10-13-7(6-4-5-6)8(16-10)9(15)14-12/h6H,4-5,12H2,1-3H3,(H,14,15)
InChIKeyGFJIODGPFKTKLU-UHFFFAOYSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
CID 58243933
4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide
CID 82437972
2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-amine
CID 62077368
(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol
CID 82436959
4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82435959
4-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82436326
1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine
CID 82436993
4-cyclopropyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide
CID 82437904
2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434583
2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazole-5-carbohydrazide
CID 82439369

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide (CID 82436995) is 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide is CC(C)(C)c1nc(C2CC2)c(C(=O)NN)s1.
What is the InChIKey of 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is GFJIODGPFKTKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(2,3)10-13-7(6-4-5-6)8(16-10)9(15)14-12/h6H,4-5,12H2,1-3H3,(H,14,15).
What are the key properties of 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide?
2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 239.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82436995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).