5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine

C11H17N3S — CID 103359682

IUPAC5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CC2CCC1C2
InChIInChI=1S/C11H17N3S/c1-6-10(12)14-15-11(6)13-9-5-7-2-3-8(9)4-7/h7-9,13H,2-5H2,1H3,(H2,12,14)
InChIKeyLRJCAVSXBDMQBC-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.63
Rot. Bonds2

About 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103359682) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103359682
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NC1CC2CCC1C2
InChIInChI=1S/C11H17N3S/c1-6-10(12)14-15-11(6)13-9-5-7-2-3-8(9)4-7/h7-9,13H,2-5H2,1H3,(H2,12,14)
InChIKeyLRJCAVSXBDMQBC-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103359682) is 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NC1CC2CCC1C2.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is LRJCAVSXBDMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-6-10(12)14-15-11(6)13-9-5-7-2-3-8(9)4-7/h7-9,13H,2-5H2,1H3,(H2,12,14).
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 223.34 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).