5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine

C16H24N4S — CID 80630719

IUPAC5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
SMILESCCC(N)Cc1cnc(N(C)Cc2scnc2C)c(C)c1
InChIInChI=1S/C16H24N4S/c1-5-14(17)7-13-6-11(2)16(18-8-13)20(4)9-15-12(3)19-10-21-15/h6,8,10,14H,5,7,9,17H2,1-4H3
InChIKeyBJKQNWMLONXZOK-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.07
Rot. Bonds6

About 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine

5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine (PubChem CID 80630719) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
PubChem CID80630719
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
SMILESCCC(N)Cc1cnc(N(C)Cc2scnc2C)c(C)c1
InChIInChI=1S/C16H24N4S/c1-5-14(17)7-13-6-11(2)16(18-8-13)20(4)9-15-12(3)19-10-21-15/h6,8,10,14H,5,7,9,17H2,1-4H3
InChIKeyBJKQNWMLONXZOK-UHFFFAOYSA-N
XLogP3.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine (CID 80630719) is 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine is CCC(N)Cc1cnc(N(C)Cc2scnc2C)c(C)c1.
What is the InChIKey of 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is BJKQNWMLONXZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-5-14(17)7-13-6-11(2)16(18-8-13)20(4)9-15-12(3)19-10-21-15/h6,8,10,14H,5,7,9,17H2,1-4H3.
What are the key properties of 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutyl)-N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 80630719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).