2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile

C11H7ClFN3S — CID 82487442

IUPAC2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(CN)nc1-c1cc(Cl)ccc1F
InChIInChI=1S/C11H7ClFN3S/c12-6-1-2-8(13)7(3-6)11-9(4-14)17-10(5-15)16-11/h1-3H,5,15H2
InChIKeyTWGOKTIVGUAXHX-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.93
Rot. Bonds2

About 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 82487442) has the molecular formula C11H7ClFN3S and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID82487442
Molecular FormulaC11H7ClFN3S
Molecular Weight267.72 g/mol
Exact Mass267.00
IUPAC Name2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(CN)nc1-c1cc(Cl)ccc1F
InChIInChI=1S/C11H7ClFN3S/c12-6-1-2-8(13)7(3-6)11-9(4-14)17-10(5-15)16-11/h1-3H,5,15H2
InChIKeyTWGOKTIVGUAXHX-UHFFFAOYSA-N
XLogP2.93
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4-(2,5-dimethylphenyl)-1,3-thiazole-5-carbonitrile
CID 82478203
2-(aminomethyl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 98022846
2-(2-aminoethyl)-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
CID 82486195
4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
CID 116867209
[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106774
2-(aminomethyl)-4-(3-ethyl-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 96669115
2-(aminomethyl)-4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-5-carbonitrile
CID 96668019
4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867130
[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 63082297
2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazole-5-carbonitrile
CID 82430140
2-[6-(2,5-dichlorophenyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 133094529
4-amino-2-(5-chloro-2-fluorophenyl)pyrimidine-5-carbonitrile
CID 116865141

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 82487442) is 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile is N#Cc1sc(CN)nc1-c1cc(Cl)ccc1F.
What is the InChIKey of 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is TWGOKTIVGUAXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3S/c12-6-1-2-8(13)7(3-6)11-9(4-14)17-10(5-15)16-11/h1-3H,5,15H2.
What are the key properties of 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 267.72 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82487442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).