4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

C12H25N3S — CID 43148971

IUPAC4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1=NCCS1
InChIInChI=1S/C12H25N3S/c1-4-15(5-2)9-6-7-11(3)14-12-13-8-10-16-12/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyVKCDZYSJTUSIPW-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.19
Rot. Bonds7

About 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 43148971) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID43148971
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1=NCCS1
InChIInChI=1S/C12H25N3S/c1-4-15(5-2)9-6-7-11(3)14-12-13-8-10-16-12/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyVKCDZYSJTUSIPW-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 43148971) is 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC1=NCCS1.
What is the InChIKey of 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is VKCDZYSJTUSIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-4-15(5-2)9-6-7-11(3)14-12-13-8-10-16-12/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 243.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 43148971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).