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

C14H27N3S — CID 115317162

IUPAC1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCc1nc(C)c(C(C)N(C)CCC(N)C(C)C)s1
InChIInChI=1S/C14H27N3S/c1-9(2)13(15)7-8-17(6)11(4)14-10(3)16-12(5)18-14/h9,11,13H,7-8,15H2,1-6H3
InChIKeyOORHEJBVZGSFMW-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.13
Rot. Bonds6

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

1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115317162) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115317162
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCc1nc(C)c(C(C)N(C)CCC(N)C(C)C)s1
InChIInChI=1S/C14H27N3S/c1-9(2)13(15)7-8-17(6)11(4)14-10(3)16-12(5)18-14/h9,11,13H,7-8,15H2,1-6H3
InChIKeyOORHEJBVZGSFMW-UHFFFAOYSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine (CID 115317162) is 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine is Cc1nc(C)c(C(C)N(C)CCC(N)C(C)C)s1.
What is the InChIKey of 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is OORHEJBVZGSFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-9(2)13(15)7-8-17(6)11(4)14-10(3)16-12(5)18-14/h9,11,13H,7-8,15H2,1-6H3.
What are the key properties of 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 269.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115317162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).