5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine

C13H23N3S — CID 63915785

IUPAC5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C13H23N3S/c1-3-4-5-8-16(2)13-15-12(10-6-7-10)11(9-14)17-13/h10H,3-9,14H2,1-2H3
InChIKeyZIJPOVBIABJWSX-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.11
Rot. Bonds7

About 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine

5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine (PubChem CID 63915785) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine
PubChem CID63915785
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine
SMILESCCCCCN(C)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C13H23N3S/c1-3-4-5-8-16(2)13-15-12(10-6-7-10)11(9-14)17-13/h10H,3-9,14H2,1-2H3
InChIKeyZIJPOVBIABJWSX-UHFFFAOYSA-N
XLogP3.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-N-methyl-5-(methylaminomethyl)-N-pentyl-1,3-thiazol-2-amine
CID 63915980
4-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 63916176
5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 63916162
N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63916947
5-(aminomethyl)-4-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917357
5-(aminomethyl)-N,4-dimethyl-N-pentyl-1,3-thiazol-2-amine
CID 62768133
4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4-cyclopropyl-N-methyl-1,3-thiazol-2-amine
CID 63918558
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
2-N-methyl-2-N-pentyl-4-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976809
[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 63917237
5-[(tert-butylamino)methyl]-4-cyclopropyl-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916442

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine (CID 63915785) is 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine is CCCCCN(C)c1nc(C2CC2)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine?
The InChIKey is ZIJPOVBIABJWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-4-5-8-16(2)13-15-12(10-6-7-10)11(9-14)17-13/h10H,3-9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63915785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).