2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide

C10H15N3OS — CID 82434583

IUPAC2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCC(C)c1nc(C2CC2)sc1C(=O)NN
InChIInChI=1S/C10H15N3OS/c1-5(2)7-8(9(14)13-11)15-10(12-7)6-3-4-6/h5-6H,3-4,11H2,1-2H3,(H,13,14)
InChIKeyWMAUASWWFIBRKI-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.75
Rot. Bonds3

About 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide

2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 82434583) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
PubChem CID82434583
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
SMILESCC(C)c1nc(C2CC2)sc1C(=O)NN
InChIInChI=1S/C10H15N3OS/c1-5(2)7-8(9(14)13-11)15-10(12-7)6-3-4-6/h5-6H,3-4,11H2,1-2H3,(H,13,14)
InChIKeyWMAUASWWFIBRKI-UHFFFAOYSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.75
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

N-[(2-cyclopropyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82434552
2-amino-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
CID 58243933
2-tert-butyl-4-cyclopropyl-1,3-thiazole-5-carbohydrazide
CID 82436995
2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359778
4-cyclopropyl-2-(dimethylamino)-1,3-thiazole-5-carbohydrazide
CID 82437972
(2-cyclohexyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
CID 82434692
2-[(4-fluorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434266
ethyl 2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidin-4-yl]-4-propan-2-yl-1,3-thiazole-5-carboxylate
CID 54072537
N-[[2-(4-ethylcyclohexyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365494
4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 104838461
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide (CID 82434583) is 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide is CC(C)c1nc(C2CC2)sc1C(=O)NN.
What is the InChIKey of 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is WMAUASWWFIBRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-5(2)7-8(9(14)13-11)15-10(12-7)6-3-4-6/h5-6H,3-4,11H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide?
2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 225.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82434583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).