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

C12H19N3S — CID 103365365

IUPAC5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC2CCC2)c1C1CC1
InChIInChI=1S/C12H19N3S/c13-11-10(9-4-5-9)12(16-15-11)14-7-6-8-2-1-3-8/h8-9,14H,1-7H2,(H2,13,15)
InChIKeyGLDAPNGJCYNDMV-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.20
Rot. Bonds5

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

5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine (PubChem CID 103365365) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
PubChem CID103365365
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCC2CCC2)c1C1CC1
InChIInChI=1S/C12H19N3S/c13-11-10(9-4-5-9)12(16-15-11)14-7-6-8-2-1-3-8/h8-9,14H,1-7H2,(H2,13,15)
InChIKeyGLDAPNGJCYNDMV-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-5-N-(2-cyclopropylethyl)-1,2-thiazole-3,5-diamine
CID 103359905
5-N-(2-cyclohexyloxyethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103361711
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103361131
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
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
5-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]pentan-2-ol
CID 106138947
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]propan-2-ol
CID 103363978

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine (CID 103365365) is 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine is Nc1nsc(NCCC2CCC2)c1C1CC1.
What is the InChIKey of 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine?
The InChIKey is GLDAPNGJCYNDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c13-11-10(9-4-5-9)12(16-15-11)14-7-6-8-2-1-3-8/h8-9,14H,1-7H2,(H2,13,15).
What are the key properties of 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine?
5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine has a molecular weight of 237.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclobutylethyl)-4-cyclopropyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).