2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile

C12H10ClN3S — CID 62500593

IUPAC2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
SMILESCc1ncc(CNc2cccc(Cl)c2C#N)s1
InChIInChI=1S/C12H10ClN3S/c1-8-15-6-9(17-8)7-16-12-4-2-3-11(13)10(12)5-14/h2-4,6,16H,7H2,1H3
InChIKeyNDOKWHNVMOSEIT-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.59
Rot. Bonds3

About 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile

2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile (PubChem CID 62500593) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
PubChem CID62500593
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
SMILESCc1ncc(CNc2cccc(Cl)c2C#N)s1
InChIInChI=1S/C12H10ClN3S/c1-8-15-6-9(17-8)7-16-12-4-2-3-11(13)10(12)5-14/h2-4,6,16H,7H2,1H3
InChIKeyNDOKWHNVMOSEIT-UHFFFAOYSA-N
XLogP3.59
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 63092764
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-6-methylbenzonitrile
CID 107803658
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63306219
2-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzonitrile
CID 55209154
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
2-chloro-6-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 61361195
4-amino-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 113444131
6-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 107266335
2-chloro-6-(furan-2-ylmethylamino)benzonitrile
CID 60678752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile?
The IUPAC name of 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile (CID 62500593) is 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile?
The canonical SMILES for 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile is Cc1ncc(CNc2cccc(Cl)c2C#N)s1.
What is the InChIKey of 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile?
The InChIKey is NDOKWHNVMOSEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-8-15-6-9(17-8)7-16-12-4-2-3-11(13)10(12)5-14/h2-4,6,16H,7H2,1H3.
What are the key properties of 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile?
2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile has a molecular weight of 263.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile is sourced from PubChem (CID 62500593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).