N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C14H27N3S — CID 64545180

IUPACN-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(C)CCC(C)C)n1
InChIInChI=1S/C14H27N3S/c1-6-8-15-12(4)13-10-18-14(16-13)17(5)9-7-11(2)3/h10-12,15H,6-9H2,1-5H3
InChIKeyAMQMYMFMTYGZIR-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.69
Rot. Bonds8

About N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 64545180) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID64545180
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(C)CCC(C)C)n1
InChIInChI=1S/C14H27N3S/c1-6-8-15-12(4)13-10-18-14(16-13)17(5)9-7-11(2)3/h10-12,15H,6-9H2,1-5H3
InChIKeyAMQMYMFMTYGZIR-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 64545180) is N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1csc(N(C)CCC(C)C)n1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is AMQMYMFMTYGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-8-15-12(4)13-10-18-14(16-13)17(5)9-7-11(2)3/h10-12,15H,6-9H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64545180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).