N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine

C13H10ClN3S — CID 104878700

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine
SMILESClc1cnc(CNc2cccc3cccnc23)s1
InChIInChI=1S/C13H10ClN3S/c14-11-7-17-12(18-11)8-16-10-5-1-3-9-4-2-6-15-13(9)10/h1-7,16H,8H2
InChIKeyPZUBOQCWIZQORC-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.96
Rot. Bonds3

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine (PubChem CID 104878700) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine
PubChem CID104878700
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine
SMILESClc1cnc(CNc2cccc3cccnc23)s1
InChIInChI=1S/C13H10ClN3S/c14-11-7-17-12(18-11)8-16-10-5-1-3-9-4-2-6-15-13(9)10/h1-7,16H,8H2
InChIKeyPZUBOQCWIZQORC-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
CID 104921590
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
N-[(4-bromothiophen-3-yl)methyl]quinolin-8-amine
CID 112739609
N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinolin-8-amine
CID 43663459
3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 107123923
N-[(5-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 81311378
N-(1H-pyrrol-3-ylmethyl)quinolin-8-amine
CID 66408480
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104879408
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 104879443
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine (CID 104878700) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine is Clc1cnc(CNc2cccc3cccnc23)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine?
The InChIKey is PZUBOQCWIZQORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-11-7-17-12(18-11)8-16-10-5-1-3-9-4-2-6-15-13(9)10/h1-7,16H,8H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine has a molecular weight of 275.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 104878700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).