N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide

C9H13N3O2S — CID 44515496

IUPACN'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C9H13N3O2S/c1-5(2)7-4-15-9(10-7)8(14)12-11-6(3)13/h4-5H,1-3H3,(H,11,13)(H,12,14)
InChIKeyISKZMKBLVSAKTK-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.05
Rot. Bonds2

About N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide

N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide (PubChem CID 44515496) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide
PubChem CID44515496
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide
SMILESCC(=O)NNC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C9H13N3O2S/c1-5(2)7-4-15-9(10-7)8(14)12-11-6(3)13/h4-5H,1-3H3,(H,11,13)(H,12,14)
InChIKeyISKZMKBLVSAKTK-UHFFFAOYSA-N
XLogP1.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide?
The IUPAC name of N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide (CID 44515496) is N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide is CC(=O)NNC(=O)c1nc(C(C)C)cs1.
What is the InChIKey of N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide?
The InChIKey is ISKZMKBLVSAKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-5(2)7-4-15-9(10-7)8(14)12-11-6(3)13/h4-5H,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide?
N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide has a molecular weight of 227.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-propan-2-yl-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 44515496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).