N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C18H29N3S — CID 134189531

IUPACN-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCCCCCCCCCCCNc1nc2cccnc2s1
InChIInChI=1S/C18H29N3S/c1-2-3-4-5-6-7-8-9-10-11-14-20-18-21-16-13-12-15-19-17(16)22-18/h12-13,15H,2-11,14H2,1H3,(H,20,21)
InChIKeyTWEBLTBBHLRUNB-UHFFFAOYSA-N
MW319.52 g/mol
LogP6.02
Rot. Bonds12

About N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 134189531) has the molecular formula C18H29N3S and a molecular weight of 319.52 g/mol. Its IUPAC name is N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID134189531
Molecular FormulaC18H29N3S
Molecular Weight319.52 g/mol
Exact Mass319.21
IUPAC NameN-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCCCCCCCCCCCCNc1nc2cccnc2s1
InChIInChI=1S/C18H29N3S/c1-2-3-4-5-6-7-8-9-10-11-14-20-18-21-16-13-12-15-19-17(16)22-18/h12-13,15H,2-11,14H2,1H3,(H,20,21)
InChIKeyTWEBLTBBHLRUNB-UHFFFAOYSA-N
XLogP6.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.52
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-octyl-1,3-benzothiazol-2-amine
CID 115569155
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-heptylquinolin-8-amine
CID 43130175
N'-(1,3-benzothiazol-2-yl)-N-pyrimidin-2-ylpropane-1,3-diamine
CID 47370704
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)pentan-2-amine
CID 65335738
8-N-hexylquinoline-7,8-diamine;dihydrochloride
CID 12887821
pentylhydrazine;quinoline
CID 175186682
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
2-bromo-N-pentylpyridin-3-amine
CID 88814302
N-decyl-4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-amine
CID 151050201
methyl 2-(octylamino)-1,3-thiazole-5-carboxylate
CID 113336783
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 134189531) is N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is CCCCCCCCCCCCNc1nc2cccnc2s1.
What is the InChIKey of N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is TWEBLTBBHLRUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3S/c1-2-3-4-5-6-7-8-9-10-11-14-20-18-21-16-13-12-15-19-17(16)22-18/h12-13,15H,2-11,14H2,1H3,(H,20,21).
What are the key properties of N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 319.52 g/mol, XLogP of 6.02, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 134189531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).