4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine

C12H17N3OS — CID 114096901

IUPAC4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NC1C2C3CCC(C3)C12
InChIInChI=1S/C12H17N3OS/c1-16-10-11(13)15-17-12(10)14-9-7-5-2-3-6(4-5)8(7)9/h5-9,14H,2-4H2,1H3,(H2,13,15)
InChIKeyZKMIRXIEKKNVJW-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.19
Rot. Bonds3

About 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine

4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine (PubChem CID 114096901) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
PubChem CID114096901
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NC1C2C3CCC(C3)C12
InChIInChI=1S/C12H17N3OS/c1-16-10-11(13)15-17-12(10)14-9-7-5-2-3-6(4-5)8(7)9/h5-9,14H,2-4H2,1H3,(H2,13,15)
InChIKeyZKMIRXIEKKNVJW-UHFFFAOYSA-N
XLogP2.19
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

4-methylsulfanyl-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
CID 114096898
4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine
CID 103384334
4-methoxy-5-N-(2-methoxycyclopentyl)-1,2-thiazole-3,5-diamine
CID 103379871
5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103384519
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine
CID 103359681
4-methoxy-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103382934
6-methoxy-2-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridine-2,3-diamine
CID 114095356
3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine
CID 103894653
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103383775

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine (CID 114096901) is 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NC1C2C3CCC(C3)C12.
What is the InChIKey of 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ZKMIRXIEKKNVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-16-10-11(13)15-17-12(10)14-9-7-5-2-3-6(4-5)8(7)9/h5-9,14H,2-4H2,1H3,(H2,13,15).
What are the key properties of 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine has a molecular weight of 251.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 114096901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).