5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine

C13H23N3S — CID 79772125

IUPAC5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCCCN(Cc1cnc(NCC)s1)C1CC1
InChIInChI=1S/C13H23N3S/c1-3-5-8-16(11-6-7-11)10-12-9-15-13(17-12)14-4-2/h9,11H,3-8,10H2,1-2H3,(H,14,15)
InChIKeyNTIZYBMOEKVFDR-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.34
Rot. Bonds8

About 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine

5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79772125) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID79772125
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCCCN(Cc1cnc(NCC)s1)C1CC1
InChIInChI=1S/C13H23N3S/c1-3-5-8-16(11-6-7-11)10-12-9-15-13(17-12)14-4-2/h9,11H,3-8,10H2,1-2H3,(H,14,15)
InChIKeyNTIZYBMOEKVFDR-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79772514
5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772205
N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79772041
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606877
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79771258
5-[[butyl(cyclopropyl)amino]methyl]-N-methylpyridin-2-amine
CID 62183710
6-[[butyl(cyclopropyl)amino]methyl]-N-ethylpyridin-2-amine
CID 79243992
5-[[butyl(cyclopropyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103055861
N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771732
5-(cyclopentyloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79773903
3-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]propanenitrile
CID 79771664
N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429311

Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine (CID 79772125) is 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine is CCCCN(Cc1cnc(NCC)s1)C1CC1.
What is the InChIKey of 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is NTIZYBMOEKVFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-5-8-16(11-6-7-11)10-12-9-15-13(17-12)14-4-2/h9,11H,3-8,10H2,1-2H3,(H,14,15).
What are the key properties of 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine?
5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(cyclopropyl)amino]methyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79772125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).