N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine

C13H25N3S — CID 62751969

IUPACN,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(C)c1nc(C)c(C(C)NC)s1
InChIInChI=1S/C13H25N3S/c1-7-11(8-2)16(6)13-15-10(4)12(17-13)9(3)14-5/h9,11,14H,7-8H2,1-6H3
InChIKeyTWGFKMBXCLNIHR-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.36
Rot. Bonds6

About N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine

N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine (PubChem CID 62751969) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
PubChem CID62751969
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
SMILESCCC(CC)N(C)c1nc(C)c(C(C)NC)s1
InChIInChI=1S/C13H25N3S/c1-7-11(8-2)16(6)13-15-10(4)12(17-13)9(3)14-5/h9,11,14H,7-8H2,1-6H3
InChIKeyTWGFKMBXCLNIHR-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine (CID 62751969) is N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine is CCC(CC)N(C)c1nc(C)c(C(C)NC)s1.
What is the InChIKey of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
The InChIKey is TWGFKMBXCLNIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-7-11(8-2)16(6)13-15-10(4)12(17-13)9(3)14-5/h9,11,14H,7-8H2,1-6H3.
What are the key properties of N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine?
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62751969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).