(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine

C13H14N4S — CID 115331781

IUPAC(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cn2ccsc2n1)c1ccccn1
InChIInChI=1S/C13H14N4S/c1-10(12-4-2-3-5-14-12)15-8-11-9-17-6-7-18-13(17)16-11/h2-7,9-10,15H,8H2,1H3/t10-/m1/s1
InChIKeyCGADMGITLPPCRD-SNVBAGLBSA-N
MW258.35 g/mol
LogP2.64
Rot. Bonds4

About (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine

(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine (PubChem CID 115331781) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine
PubChem CID115331781
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cn2ccsc2n1)c1ccccn1
InChIInChI=1S/C13H14N4S/c1-10(12-4-2-3-5-14-12)15-8-11-9-17-6-7-18-13(17)16-11/h2-7,9-10,15H,8H2,1H3/t10-/m1/s1
InChIKeyCGADMGITLPPCRD-SNVBAGLBSA-N
XLogP2.64
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyridin-2-ylethanol
CID 115332807
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
1-(1-benzothiophen-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 167790798
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 78918734
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methoxybutan-2-amine
CID 115713221
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 62321588
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine (CID 115331781) is (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine is C[C@@H](NCc1cn2ccsc2n1)c1ccccn1.
What is the InChIKey of (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine?
The InChIKey is CGADMGITLPPCRD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N4S/c1-10(12-4-2-3-5-14-12)15-8-11-9-17-6-7-18-13(17)16-11/h2-7,9-10,15H,8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine?
(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine has a molecular weight of 258.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 115331781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).