N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine

C12H12ClN3S — CID 168583874

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine
SMILESClc1ncc(CNc2cccc3c2CNC3)s1
InChIInChI=1S/C12H12ClN3S/c13-12-16-6-9(17-12)5-15-11-3-1-2-8-4-14-7-10(8)11/h1-3,6,14-15H,4-5,7H2
InChIKeyPYTGCWMMYKPYGQ-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.01
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine (PubChem CID 168583874) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine
PubChem CID168583874
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine
SMILESClc1ncc(CNc2cccc3c2CNC3)s1
InChIInChI=1S/C12H12ClN3S/c13-12-16-6-9(17-12)5-15-11-3-1-2-8-4-14-7-10(8)11/h1-3,6,14-15H,4-5,7H2
InChIKeyPYTGCWMMYKPYGQ-UHFFFAOYSA-N
XLogP3.01
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,2-dihydroisoquinolin-3-one
CID 168581328
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-methyl-1,4-dihydroquinazolin-2-one
CID 168581198
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one
CID 168582484
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
CID 168583358
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine
CID 168580069
2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-nitroaniline
CID 168582038
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
CID 168579845
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)aniline
CID 168580268
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
CID 168582921
1-[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxyphenyl]ethanone
CID 168580226

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine (CID 168583874) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine is Clc1ncc(CNc2cccc3c2CNC3)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine?
The InChIKey is PYTGCWMMYKPYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c13-12-16-6-9(17-12)5-15-11-3-1-2-8-4-14-7-10(8)11/h1-3,6,14-15H,4-5,7H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine has a molecular weight of 265.77 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine is sourced from PubChem (CID 168583874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).