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

C10H17N3S — CID 103365634

IUPAC5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
SMILESCC1(C)CCC(Nc2cc(N)ns2)C1
InChIInChI=1S/C10H17N3S/c1-10(2)4-3-7(6-10)12-9-5-8(11)13-14-9/h5,7,12H,3-4,6H2,1-2H3,(H2,11,13)
InChIKeyONCHXHACLQVPBC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.72
Rot. Bonds2

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

5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine (PubChem CID 103365634) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
PubChem CID103365634
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
SMILESCC1(C)CCC(Nc2cc(N)ns2)C1
InChIInChI=1S/C10H17N3S/c1-10(2)4-3-7(6-10)12-9-5-8(11)13-14-9/h5,7,12H,3-4,6H2,1-2H3,(H2,11,13)
InChIKeyONCHXHACLQVPBC-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine (CID 103365634) is 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine is CC1(C)CCC(Nc2cc(N)ns2)C1.
What is the InChIKey of 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ONCHXHACLQVPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-10(2)4-3-7(6-10)12-9-5-8(11)13-14-9/h5,7,12H,3-4,6H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine?
5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine has a molecular weight of 211.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).