4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine

C13H25N3S — CID 64544162

IUPAC4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCCCCN(c1nc(C(C)N)cs1)C(C)C
InChIInChI=1S/C13H25N3S/c1-5-6-7-8-16(10(2)3)13-15-12(9-17-13)11(4)14/h9-11H,5-8,14H2,1-4H3
InChIKeyHTICVRQGZPYRTQ-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.57
Rot. Bonds7

About 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine

4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 64544162) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID64544162
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCCCCN(c1nc(C(C)N)cs1)C(C)C
InChIInChI=1S/C13H25N3S/c1-5-6-7-8-16(10(2)3)13-15-12(9-17-13)11(4)14/h9-11H,5-8,14H2,1-4H3
InChIKeyHTICVRQGZPYRTQ-UHFFFAOYSA-N
XLogP3.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.57
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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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 64544162) is 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine is CCCCCN(c1nc(C(C)N)cs1)C(C)C.
What is the InChIKey of 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is HTICVRQGZPYRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-6-7-8-16(10(2)3)13-15-12(9-17-13)11(4)14/h9-11H,5-8,14H2,1-4H3.
What are the key properties of 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-pentyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 64544162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).