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

C16H30N4S — CID 62776879

IUPACN-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2CCN(C(C)CC)CC2)s1
InChIInChI=1S/C16H30N4S/c1-5-7-17-14(4)15-12-18-16(21-15)20-10-8-19(9-11-20)13(3)6-2/h12-14,17H,5-11H2,1-4H3
InChIKeyXNBQWWBSKJMXRH-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.12
Rot. Bonds7

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

N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 62776879) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID62776879
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(N2CCN(C(C)CC)CC2)s1
InChIInChI=1S/C16H30N4S/c1-5-7-17-14(4)15-12-18-16(21-15)20-10-8-19(9-11-20)13(3)6-2/h12-14,17H,5-11H2,1-4H3
InChIKeyXNBQWWBSKJMXRH-UHFFFAOYSA-N
XLogP3.12
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 62776879) is N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(N2CCN(C(C)CC)CC2)s1.
What is the InChIKey of N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is XNBQWWBSKJMXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-5-7-17-14(4)15-12-18-16(21-15)20-10-8-19(9-11-20)13(3)6-2/h12-14,17H,5-11H2,1-4H3.
What are the key properties of N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62776879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).