4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide

C13H16N4OS2 — CID 63583083

IUPAC4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN(Cc2ccsc2)C2CC2)cs1
InChIInChI=1S/C13H16N4OS2/c14-16-12(18)13-15-10(8-20-13)6-17(11-1-2-11)5-9-3-4-19-7-9/h3-4,7-8,11H,1-2,5-6,14H2,(H,16,18)
InChIKeyPXSGXPCGMYKRCE-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.97
Rot. Bonds6

About 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide

4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63583083) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63583083
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN(Cc2ccsc2)C2CC2)cs1
InChIInChI=1S/C13H16N4OS2/c14-16-12(18)13-15-10(8-20-13)6-17(11-1-2-11)5-9-3-4-19-7-9/h3-4,7-8,11H,1-2,5-6,14H2,(H,16,18)
InChIKeyPXSGXPCGMYKRCE-UHFFFAOYSA-N
XLogP1.97
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63583083) is 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN(Cc2ccsc2)C2CC2)cs1.
What is the InChIKey of 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is PXSGXPCGMYKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c14-16-12(18)13-15-10(8-20-13)6-17(11-1-2-11)5-9-3-4-19-7-9/h3-4,7-8,11H,1-2,5-6,14H2,(H,16,18).
What are the key properties of 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 308.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63583083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).