4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine

C13H22N4S — CID 103361131

IUPAC4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCCN2CCCC2)c1C1CC1
InChIInChI=1S/C13H22N4S/c14-12-11(10-4-5-10)13(18-16-12)15-6-3-9-17-7-1-2-8-17/h10,15H,1-9H2,(H2,14,16)
InChIKeyOBIDIJPJXUXWRC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.50
Rot. Bonds6

About 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361131) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103361131
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCCN2CCCC2)c1C1CC1
InChIInChI=1S/C13H22N4S/c14-12-11(10-4-5-10)13(18-16-12)15-6-3-9-17-7-1-2-8-17/h10,15H,1-9H2,(H2,14,16)
InChIKeyOBIDIJPJXUXWRC-UHFFFAOYSA-N
XLogP2.50
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103365365
4-cyclopropyl-5-N-(2-cyclopropylethyl)-1,2-thiazole-3,5-diamine
CID 103359905
5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol
CID 106138947
3-amino-N-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxamide
CID 103380124
5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103361711
4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361026
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361091
5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103359522
N-(3-pyrrolidin-1-ylpropyl)-2,1-benzothiazol-3-amine
CID 66355718
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
CID 103363978
5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine (CID 103361131) is 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCCCN2CCCC2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is OBIDIJPJXUXWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c14-12-11(10-4-5-10)13(18-16-12)15-6-3-9-17-7-1-2-8-17/h10,15H,1-9H2,(H2,14,16).
What are the key properties of 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).