4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide

C9H11N5OS2 — CID 63580957

IUPAC4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCn1ccnc1SCc1csc(C(=O)NN)n1
InChIInChI=1S/C9H11N5OS2/c1-14-3-2-11-9(14)17-5-6-4-16-8(12-6)7(15)13-10/h2-4H,5,10H2,1H3,(H,13,15)
InChIKeyGDPGGFMSFANWSU-UHFFFAOYSA-N
MW269.36 g/mol
LogP0.77
Rot. Bonds4

About 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide

4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63580957) has the molecular formula C9H11N5OS2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63580957
Molecular FormulaC9H11N5OS2
Molecular Weight269.36 g/mol
Exact Mass269.04
IUPAC Name4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCn1ccnc1SCc1csc(C(=O)NN)n1
InChIInChI=1S/C9H11N5OS2/c1-14-3-2-11-9(14)17-5-6-4-16-8(12-6)7(15)13-10/h2-4H,5,10H2,1H3,(H,13,15)
InChIKeyGDPGGFMSFANWSU-UHFFFAOYSA-N
XLogP0.77
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580507
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580775
4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63696092
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 4171231
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 66229682
4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 79670600
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 51087547
1-[2-(1-methylimidazol-2-yl)sulfanylethyl]triazole-4-carbohydrazide
CID 63581139
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (CID 63580957) is 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is Cn1ccnc1SCc1csc(C(=O)NN)n1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is GDPGGFMSFANWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-14-3-2-11-9(14)17-5-6-4-16-8(12-6)7(15)13-10/h2-4H,5,10H2,1H3,(H,13,15).
What are the key properties of 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 269.36 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63580957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).