2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine

C7H11N3S — CID 102768294

IUPAC2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine
SMILESCC1CC1Nc1ncc(N)s1
InChIInChI=1S/C7H11N3S/c1-4-2-5(4)10-7-9-3-6(8)11-7/h3-5H,2,8H2,1H3,(H,9,10)
InChIKeyLPCZFBAXNUSINE-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.55
Rot. Bonds2

About 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine

2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768294) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine
PubChem CID102768294
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine
SMILESCC1CC1Nc1ncc(N)s1
InChIInChI=1S/C7H11N3S/c1-4-2-5(4)10-7-9-3-6(8)11-7/h3-5H,2,8H2,1H3,(H,9,10)
InChIKeyLPCZFBAXNUSINE-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine (CID 102768294) is 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine is CC1CC1Nc1ncc(N)s1.
What is the InChIKey of 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine?
The InChIKey is LPCZFBAXNUSINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-4-2-5(4)10-7-9-3-6(8)11-7/h3-5H,2,8H2,1H3,(H,9,10).
What are the key properties of 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine?
2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine has a molecular weight of 169.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylcyclopropyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).