4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

C9H9N5OS2 — CID 63696092

IUPAC4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CSc2ccncn2)cs1
InChIInChI=1S/C9H9N5OS2/c10-14-8(15)9-13-6(4-17-9)3-16-7-1-2-11-5-12-7/h1-2,4-5H,3,10H2,(H,14,15)
InChIKeyCFBWDCQKNDQMTI-UHFFFAOYSA-N
MW267.34 g/mol
LogP0.83
Rot. Bonds4

About 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide

4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63696092) has the molecular formula C9H9N5OS2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63696092
Molecular FormulaC9H9N5OS2
Molecular Weight267.34 g/mol
Exact Mass267.02
IUPAC Name4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CSc2ccncn2)cs1
InChIInChI=1S/C9H9N5OS2/c10-14-8(15)9-13-6(4-17-9)3-16-7-1-2-11-5-12-7/h1-2,4-5H,3,10H2,(H,14,15)
InChIKeyCFBWDCQKNDQMTI-UHFFFAOYSA-N
XLogP0.83
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 50.83
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-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 63580249
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580507
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63580957
4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
4-(2,3-dihydroxypropylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide
CID 79670600
4-[(2-amino-5-ethoxyphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79515830
4-[(2-amino-5-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 79148538
4-[(2-amino-6-chlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63582766
4-[(3-chloro-4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63581953
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 66229682
4-[(3-amino-4-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 61319868
2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine
CID 79259350

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide (CID 63696092) is 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CSc2ccncn2)cs1.
What is the InChIKey of 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is CFBWDCQKNDQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5OS2/c10-14-8(15)9-13-6(4-17-9)3-16-7-1-2-11-5-12-7/h1-2,4-5H,3,10H2,(H,14,15).
What are the key properties of 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide?
4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 267.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-4-ylsulfanylmethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63696092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).