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

C15H29N3S — CID 63751598

IUPAC2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCc1nc(C)c(C(C)NC(CC(C)C)CN(C)C)s1
InChIInChI=1S/C15H29N3S/c1-10(2)8-14(9-18(6)7)17-12(4)15-11(3)16-13(5)19-15/h10,12,14,17H,8-9H2,1-7H3
InChIKeyYKTXPAHNDHQNOO-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.39
Rot. Bonds7

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

2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 63751598) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID63751598
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC Name2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCc1nc(C)c(C(C)NC(CC(C)C)CN(C)C)s1
InChIInChI=1S/C15H29N3S/c1-10(2)8-14(9-18(6)7)17-12(4)15-11(3)16-13(5)19-15/h10,12,14,17H,8-9H2,1-7H3
InChIKeyYKTXPAHNDHQNOO-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 63751598) is 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is Cc1nc(C)c(C(C)NC(CC(C)C)CN(C)C)s1.
What is the InChIKey of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is YKTXPAHNDHQNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-10(2)8-14(9-18(6)7)17-12(4)15-11(3)16-13(5)19-15/h10,12,14,17H,8-9H2,1-7H3.
What are the key properties of 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 283.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 63751598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).