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

C14H23N3S2 — CID 103359671

IUPAC4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C14H23N3S2/c1-13(2)8-5-6-14(3,7-8)12(13)16-11-9(18-4)10(15)17-19-11/h8,12,16H,5-7H2,1-4H3,(H2,15,17)
InChIKeyNUXPYLYPJDVPCU-UHFFFAOYSA-N
MW297.49 g/mol
LogP4.07
Rot. Bonds3

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

4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359671) has the molecular formula C14H23N3S2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
PubChem CID103359671
Molecular FormulaC14H23N3S2
Molecular Weight297.49 g/mol
Exact Mass297.13
IUPAC Name4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C14H23N3S2/c1-13(2)8-5-6-14(3,7-8)12(13)16-11-9(18-4)10(15)17-19-11/h8,12,16H,5-7H2,1-4H3,(H2,15,17)
InChIKeyNUXPYLYPJDVPCU-UHFFFAOYSA-N
XLogP4.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine (CID 103359671) is 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NUXPYLYPJDVPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S2/c1-13(2)8-5-6-14(3,7-8)12(13)16-11-9(18-4)10(15)17-19-11/h8,12,16H,5-7H2,1-4H3,(H2,15,17).
What are the key properties of 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine?
4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine has a molecular weight of 297.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).