N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H30N4S — CID 62753967

IUPACN-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2CCN(C(C)(C)C)CC2)s1
InChIInChI=1S/C16H30N4S/c1-6-7-17-13(2)14-12-18-15(21-14)19-8-10-20(11-9-19)16(3,4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyHFEBUMBVRYHPHO-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.12
Rot. Bonds5

About N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 62753967) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID62753967
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2CCN(C(C)(C)C)CC2)s1
InChIInChI=1S/C16H30N4S/c1-6-7-17-13(2)14-12-18-15(21-14)19-8-10-20(11-9-19)16(3,4)5/h12-13,17H,6-11H2,1-5H3
InChIKeyHFEBUMBVRYHPHO-UHFFFAOYSA-N
XLogP3.12
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-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-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 62753967) is N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(N2CCN(C(C)(C)C)CC2)s1.
What is the InChIKey of N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is HFEBUMBVRYHPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-6-7-17-13(2)14-12-18-15(21-14)19-8-10-20(11-9-19)16(3,4)5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62753967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).