5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C7H11F2N3S2 — CID 127011523

IUPAC5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC(C)C(F)F
InChIInChI=1S/C7H11F2N3S2/c1-3(5(8)9)11-7-4(13-2)6(10)12-14-7/h3,5,11H,1-2H3,(H2,10,12)
InChIKeyBZOLLPABGDSKKN-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.51
Rot. Bonds4

About 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 127011523) has the molecular formula C7H11F2N3S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID127011523
Molecular FormulaC7H11F2N3S2
Molecular Weight239.32 g/mol
Exact Mass239.04
IUPAC Name5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC(C)C(F)F
InChIInChI=1S/C7H11F2N3S2/c1-3(5(8)9)11-7-4(13-2)6(10)12-14-7/h3,5,11H,1-2H3,(H2,10,12)
InChIKeyBZOLLPABGDSKKN-UHFFFAOYSA-N
XLogP2.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 127011523) is 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NC(C)C(F)F.
What is the InChIKey of 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is BZOLLPABGDSKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3S2/c1-3(5(8)9)11-7-4(13-2)6(10)12-14-7/h3,5,11H,1-2H3,(H2,10,12).
What are the key properties of 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 239.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,1-difluoropropan-2-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 127011523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).