5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine

C11H17N3S — CID 103363356

IUPAC5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NC2CCCC2)c1C1CC1
InChIInChI=1S/C11H17N3S/c12-10-9(7-5-6-7)11(15-14-10)13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H2,12,14)
InChIKeyDEUNCEQQZCFILL-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.96
Rot. Bonds3

About 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine

5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine (PubChem CID 103363356) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
PubChem CID103363356
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NC2CCCC2)c1C1CC1
InChIInChI=1S/C11H17N3S/c12-10-9(7-5-6-7)11(15-14-10)13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H2,12,14)
InChIKeyDEUNCEQQZCFILL-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-5-N-(4-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359962
4-cyclopropyl-5-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2-thiazole-3,5-diamine
CID 103359889
4-cyclopropyl-5-N-(2-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359952
5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103361711
3-amino-5-(cyclooctylamino)-1,2-thiazole-4-carbonitrile
CID 103382474
5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103365365
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
CID 103363365
4-cyclopropyl-5-N-(2-cyclopropylethyl)-1,2-thiazole-3,5-diamine
CID 103359905
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
4-cyclopropyl-5-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2-thiazole-3,5-diamine
CID 103359673
1-[[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]methyl]cycloheptan-1-ol
CID 103359863

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine (CID 103363356) is 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine is Nc1nsc(NC2CCCC2)c1C1CC1.
What is the InChIKey of 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The InChIKey is DEUNCEQQZCFILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c12-10-9(7-5-6-7)11(15-14-10)13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H2,12,14).
What are the key properties of 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine?
5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine has a molecular weight of 223.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-4-cyclopropyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).