N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

C15H29N3S — CID 62754981

IUPACN-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCCCN(c1ncc(CNCCC)s1)C(C)C
InChIInChI=1S/C15H29N3S/c1-5-7-8-10-18(13(3)4)15-17-12-14(19-15)11-16-9-6-2/h12-13,16H,5-11H2,1-4H3
InChIKeyXXZXZZUGSGRWGB-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.05
Rot. Bonds10

About N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62754981) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62754981
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC NameN-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCCCN(c1ncc(CNCCC)s1)C(C)C
InChIInChI=1S/C15H29N3S/c1-5-7-8-10-18(13(3)4)15-17-12-14(19-15)11-16-9-6-2/h12-13,16H,5-11H2,1-4H3
InChIKeyXXZXZZUGSGRWGB-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62754981) is N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCCCN(c1ncc(CNCCC)s1)C(C)C.
What is the InChIKey of N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is XXZXZZUGSGRWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-5-7-8-10-18(13(3)4)15-17-12-14(19-15)11-16-9-6-2/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 283.48 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62754981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).