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

C10H11N5OS2 — CID 63580507

IUPAC4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1ccnc(SCc2csc(C(=O)NN)n2)n1
InChIInChI=1S/C10H11N5OS2/c1-6-2-3-12-10(13-6)18-5-7-4-17-9(14-7)8(16)15-11/h2-4H,5,11H2,1H3,(H,15,16)
InChIKeyPXOKENGCMATCQV-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.14
Rot. Bonds4

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

4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63580507) has the molecular formula C10H11N5OS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63580507
Molecular FormulaC10H11N5OS2
Molecular Weight281.37 g/mol
Exact Mass281.04
IUPAC Name4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
SMILESCc1ccnc(SCc2csc(C(=O)NN)n2)n1
InChIInChI=1S/C10H11N5OS2/c1-6-2-3-12-10(13-6)18-5-7-4-17-9(14-7)8(16)15-11/h2-4H,5,11H2,1H3,(H,15,16)
InChIKeyPXOKENGCMATCQV-UHFFFAOYSA-N
XLogP1.14
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.14
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-thiazol-2-amine
CID 62268712
4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63696092
4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580957
3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
CID 63582535
4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79148538
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212134
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 66229682
4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 79670600
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63582766

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide (CID 63580507) is 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is Cc1ccnc(SCc2csc(C(=O)NN)n2)n1.
What is the InChIKey of 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is PXOKENGCMATCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS2/c1-6-2-3-12-10(13-6)18-5-7-4-17-9(14-7)8(16)15-11/h2-4H,5,11H2,1H3,(H,15,16).
What are the key properties of 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide?
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 281.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63580507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).