5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine

C14H25N3S — CID 62767526

IUPAC5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCCN(c1nc(CCC)c(CN)s1)C1CC1
InChIInChI=1S/C14H25N3S/c1-3-5-9-17(11-7-8-11)14-16-12(6-4-2)13(10-15)18-14/h11H,3-10,15H2,1-2H3
InChIKeyJFDBYVMBHIEOJY-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.32
Rot. Bonds8

About 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine (PubChem CID 62767526) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine
PubChem CID62767526
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine
SMILESCCCCN(c1nc(CCC)c(CN)s1)C1CC1
InChIInChI=1S/C14H25N3S/c1-3-5-9-17(11-7-8-11)14-16-12(6-4-2)13(10-15)18-14/h11H,3-10,15H2,1-2H3
InChIKeyJFDBYVMBHIEOJY-UHFFFAOYSA-N
XLogP3.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine (CID 62767526) is 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine is CCCCN(c1nc(CCC)c(CN)s1)C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine?
The InChIKey is JFDBYVMBHIEOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-5-9-17(11-7-8-11)14-16-12(6-4-2)13(10-15)18-14/h11H,3-10,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-butyl-N-cyclopropyl-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).