2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

C14H27N3S — CID 54883577

IUPAC2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCc1ncc(CNC(CC(C)C)CN(C)C)s1
InChIInChI=1S/C14H27N3S/c1-6-14-16-9-13(18-14)8-15-12(7-11(2)3)10-17(4)5/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyKOVFNHYOQDSFFG-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.77
Rot. Bonds8

About 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 54883577) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID54883577
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCCc1ncc(CNC(CC(C)C)CN(C)C)s1
InChIInChI=1S/C14H27N3S/c1-6-14-16-9-13(18-14)8-15-12(7-11(2)3)10-17(4)5/h9,11-12,15H,6-8,10H2,1-5H3
InChIKeyKOVFNHYOQDSFFG-UHFFFAOYSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 54883577) is 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is CCc1ncc(CNC(CC(C)C)CN(C)C)s1.
What is the InChIKey of 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is KOVFNHYOQDSFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-14-16-9-13(18-14)8-15-12(7-11(2)3)10-17(4)5/h9,11-12,15H,6-8,10H2,1-5H3.
What are the key properties of 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 269.46 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 54883577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).