5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide

C10H11N3OS3 — CID 55212321

IUPAC5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCc1csc(SCc2ccc(C(=O)NN)s2)n1
InChIInChI=1S/C10H11N3OS3/c1-6-4-15-10(12-6)16-5-7-2-3-8(17-7)9(14)13-11/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyUQAMORFZOZCMLJ-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.41
Rot. Bonds4

About 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide

5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide (PubChem CID 55212321) has the molecular formula C10H11N3OS3 and a molecular weight of 285.42 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
PubChem CID55212321
Molecular FormulaC10H11N3OS3
Molecular Weight285.42 g/mol
Exact Mass285.01
IUPAC Name5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
SMILESCc1csc(SCc2ccc(C(=O)NN)s2)n1
InChIInChI=1S/C10H11N3OS3/c1-6-4-15-10(12-6)16-5-7-2-3-8(17-7)9(14)13-11/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyUQAMORFZOZCMLJ-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.41
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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Related Compounds

5-[(4-tert-butylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582493
3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophen-2-yl]prop-2-enoic acid
CID 76918453
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
CID 63582849
methyl 2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methylsulfanyl]acetate
CID 63580305
5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79147042
5-[(1-methylimidazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63580775
5-(1H-imidazol-2-ylsulfanylmethyl)thiophene-2-carbohydrazide
CID 107782850
5-[(4-methylsulfonylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63590993
5-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 63582352
N-(2-methylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27538951
5-(2-aminopropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 66216952
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide (CID 55212321) is 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide is Cc1csc(SCc2ccc(C(=O)NN)s2)n1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
The InChIKey is UQAMORFZOZCMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS3/c1-6-4-15-10(12-6)16-5-7-2-3-8(17-7)9(14)13-11/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide?
5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide has a molecular weight of 285.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55212321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).