[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine

C11H13N5S2 — CID 80980174

IUPAC[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCc1csc(Sc2cc(NN)nc(C3CC3)n2)n1
InChIInChI=1S/C11H13N5S2/c1-6-5-17-11(13-6)18-9-4-8(16-12)14-10(15-9)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,14,15,16)
InChIKeyXDBIOQCMUPXUIM-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.56
Rot. Bonds4

About [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine

[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine (PubChem CID 80980174) has the molecular formula C11H13N5S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
PubChem CID80980174
Molecular FormulaC11H13N5S2
Molecular Weight279.39 g/mol
Exact Mass279.06
IUPAC Name[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine
SMILESCc1csc(Sc2cc(NN)nc(C3CC3)n2)n1
InChIInChI=1S/C11H13N5S2/c1-6-5-17-11(13-6)18-9-4-8(16-12)14-10(15-9)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,14,15,16)
InChIKeyXDBIOQCMUPXUIM-UHFFFAOYSA-N
XLogP2.56
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-cyclopropyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980300
[2-cyclopropyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979587
[6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721373
(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979379
[2-cyclopropyl-6-(3-methylbutan-2-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 107766282
[2-cyclopropyl-6-(2-methylpropylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80979578
[2-cyclopropyl-6-(2,5-difluorophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80980397
2-cyclopropyl-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80964428
N,2-diethyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80937649
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
2-(2,6-difluoropyrimidin-4-yl)sulfanyl-4-methyl-1,3-thiazole
CID 164647838
2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80963401

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine (CID 80980174) is [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine is Cc1csc(Sc2cc(NN)nc(C3CC3)n2)n1.
What is the InChIKey of [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
The InChIKey is XDBIOQCMUPXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S2/c1-6-5-17-11(13-6)18-9-4-8(16-12)14-10(15-9)7-2-3-7/h4-5,7H,2-3,12H2,1H3,(H,14,15,16).
What are the key properties of [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine has a molecular weight of 279.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80980174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).