N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine

C14H21N3S — CID 172595403

IUPACN-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine
SMILESCCCCCN(CC)c1cc2sc(C)nc2cn1
InChIInChI=1S/C14H21N3S/c1-4-6-7-8-17(5-2)14-9-13-12(10-15-14)16-11(3)18-13/h9-10H,4-8H2,1-3H3
InChIKeyRYJAXVWBACDJQA-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.02
Rot. Bonds6

About N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine

N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine (PubChem CID 172595403) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine
PubChem CID172595403
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine
SMILESCCCCCN(CC)c1cc2sc(C)nc2cn1
InChIInChI=1S/C14H21N3S/c1-4-6-7-8-17(5-2)14-9-13-12(10-15-14)16-11(3)18-13/h9-10H,4-8H2,1-3H3
InChIKeyRYJAXVWBACDJQA-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N,5-N-dibutyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450495
5-heptoxy-2-methyl-1,3-benzothiazol-6-amine
CID 43450718
ethane;6-iodo-2-methyl-[1,3]thiazolo[4,5-c]pyridine;tetrahydroiodide
CID 176683267
N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine
CID 61256376
2-methyl-N-octyl-1,3-benzothiazol-6-amine
CID 43682586
4-(aminomethyl)-N-butyl-N,6-diethylpyridin-2-amine
CID 113381293
N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
CID 165400286
N'-(5-bromo-4-methyl-2-pyridinyl)-N'-ethylpropane-1,3-diamine
CID 114868959
ethane;N-ethyl-4-methyl-N-pentylpyrimidin-2-amine
CID 165400285
5-N-butan-2-yl-5-N-butyl-2-methyl-1,3-benzothiazole-5,6-diamine
CID 63406160
2-N-ethyl-2-N-propylpyridine-2,4,5-triamine
CID 144872693
N-butyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4060711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine?
The IUPAC name of N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine (CID 172595403) is N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine is CCCCCN(CC)c1cc2sc(C)nc2cn1.
What is the InChIKey of N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine?
The InChIKey is RYJAXVWBACDJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-6-7-8-17(5-2)14-9-13-12(10-15-14)16-11(3)18-13/h9-10H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine?
N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine has a molecular weight of 263.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-pentyl-[1,3]thiazolo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 172595403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).