5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine

C11H19N3OS — CID 103384519

IUPAC5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NC1CCC(C)(C)C1
InChIInChI=1S/C11H19N3OS/c1-11(2)5-4-7(6-11)13-10-8(15-3)9(12)14-16-10/h7,13H,4-6H2,1-3H3,(H2,12,14)
InChIKeyXZOJBPIYIULXDB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.72
Rot. Bonds3

About 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine

5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine (PubChem CID 103384519) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine
PubChem CID103384519
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NC1CCC(C)(C)C1
InChIInChI=1S/C11H19N3OS/c1-11(2)5-4-7(6-11)13-10-8(15-3)9(12)14-16-10/h7,13H,4-6H2,1-3H3,(H2,12,14)
InChIKeyXZOJBPIYIULXDB-UHFFFAOYSA-N
XLogP2.72
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103364709
4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine
CID 103384334
3-amino-5-[(3,3-dimethylcyclopentyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103384518
5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103365630
4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103365281
4-ethoxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103365278
4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
CID 114096901
4-methoxy-5-N-(2-methoxycyclopentyl)-1,2-thiazole-3,5-diamine
CID 103379871
5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103365634
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542332
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine (CID 103384519) is 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NC1CCC(C)(C)C1.
What is the InChIKey of 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The InChIKey is XZOJBPIYIULXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-11(2)5-4-7(6-11)13-10-8(15-3)9(12)14-16-10/h7,13H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine?
5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine has a molecular weight of 241.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103384519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).