1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine

C17H23N3OS — CID 167879475

IUPAC1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine
SMILESCOc1ccnc(C(C)NCCc2nc3c(s2)CCCC3)c1
InChIInChI=1S/C17H23N3OS/c1-12(15-11-13(21-2)7-9-19-15)18-10-8-17-20-14-5-3-4-6-16(14)22-17/h7,9,11-12,18H,3-6,8,10H2,1-2H3
InChIKeyACGJZMUJPANSKA-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.32
Rot. Bonds6

About 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine

1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine (PubChem CID 167879475) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine
PubChem CID167879475
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine
SMILESCOc1ccnc(C(C)NCCc2nc3c(s2)CCCC3)c1
InChIInChI=1S/C17H23N3OS/c1-12(15-11-13(21-2)7-9-19-15)18-10-8-17-20-14-5-3-4-6-16(14)22-17/h7,9,11-12,18H,3-6,8,10H2,1-2H3
InChIKeyACGJZMUJPANSKA-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
4-methoxy-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-2-amine
CID 133415324
2-chloro-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyridin-4-amine
CID 133415553
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butan-1-amine
CID 94270126
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]guanidine
CID 111250773
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-methoxypyrimidin-4-amine
CID 50974600
1-(3-methoxyphenyl)-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]guanidine
CID 111098971
N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 97231386
3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]aniline
CID 94282036
N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
CID 103777713
1-[2-(furan-2-yl)ethyl]-2-(2-methylsulfanylethyl)-3-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]guanidine
CID 110052002

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine (CID 167879475) is 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine is COc1ccnc(C(C)NCCc2nc3c(s2)CCCC3)c1.
What is the InChIKey of 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine?
The InChIKey is ACGJZMUJPANSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(15-11-13(21-2)7-9-19-15)18-10-8-17-20-14-5-3-4-6-16(14)22-17/h7,9,11-12,18H,3-6,8,10H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine?
1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine has a molecular weight of 317.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pyridinyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 167879475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).