4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine

C11H15N5S — CID 103359872

IUPAC4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2cnc[nH]2)c1C1CC1
InChIInChI=1S/C11H15N5S/c12-10-9(7-1-2-7)11(17-16-10)14-4-3-8-5-13-6-15-8/h5-7,14H,1-4H2,(H2,12,16)(H,13,15)
InChIKeyDLQLJYOWRVKPJC-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.98
Rot. Bonds5

About 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359872) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103359872
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2cnc[nH]2)c1C1CC1
InChIInChI=1S/C11H15N5S/c12-10-9(7-1-2-7)11(17-16-10)14-4-3-8-5-13-6-15-8/h5-7,14H,1-4H2,(H2,12,16)(H,13,15)
InChIKeyDLQLJYOWRVKPJC-UHFFFAOYSA-N
XLogP1.98
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[2-(1H-imidazol-5-yl)ethyl]-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103359870
4-cyclopropyl-5-N-(2-cyclopropylethyl)-1,2-thiazole-3,5-diamine
CID 103359905
5-N-[2-(1H-imidazol-5-yl)ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359875
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103363284
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361091
5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol
CID 106138947
4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103361131
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
CID 103363978
4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
CID 103363365
4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103364183
4-cyclopropyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
CID 103365384

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103359872) is 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is Nc1nsc(NCCc2cnc[nH]2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is DLQLJYOWRVKPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c12-10-9(7-1-2-7)11(17-16-10)14-4-3-8-5-13-6-15-8/h5-7,14H,1-4H2,(H2,12,16)(H,13,15).
What are the key properties of 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 249.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-[2-(1H-imidazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).